CF7
Summary
| Name: | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide |
| Formula: | C28 H29 Cl N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 565.02 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-~{N}2-(3-chloranyl-4-cyano-phenyl)-~{N}4-[3-(cyclopropylmethyl)-2,4-bis(oxidanylidene)-1-propan-2-yl-quinazolin-6-yl]morpholine-2,4-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c15c(cc(cc1)NC(=O)N2CCOC(C2)C(Nc3ccc(C#N)c(c3)Cl)=O)C(=O)N(CC4CC4)C(N5C(C)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C28H29ClN6O5/c1-16(2)35-23-8-7-19(11-21(23)26(37)34(28(35)39)14-17-3-4-17)32-27(38)33-9-10-40-24(15-33)25(36)31-20-6-5-18(13-30)22(29)12-20/h5-8,11-12,16-17,24H,3-4,9-10,14-15H2,1-2H3,(H,31,36)(H,32,38)/t24-/m1/s1 |
| InChIKey | InChI | 1.03 | QUTSLTZISBFEOJ-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1C(=O)N(CC2CC2)C(=O)c3cc(NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(C#N)c(Cl)c5)ccc13 |
| SMILES | CACTVS | 3.385 | CC(C)N1C(=O)N(CC2CC2)C(=O)c3cc(NC(=O)N4CCO[CH](C4)C(=O)Nc5ccc(C#N)c(Cl)c5)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(c(c5)Cl)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCOC(C4)C(=O)Nc5ccc(c(c5)Cl)C#N |
