7U2
Summary
| Name: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine |
| Formula: | C22 H27 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 382.474 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine |
| OpenEye OEToolkits | 2.0.7 | (8~{R})-~{N}-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccccc1CN1CCC2(C1)COCc1c(C)nc(NCC3CC3)nc12 |
| InChI | InChI | 1.03 | InChI=1S/C22H27FN4O/c1-15-18-12-28-14-22(20(18)26-21(25-15)24-10-16-6-7-16)8-9-27(13-22)11-17-4-2-3-5-19(17)23/h2-5,16H,6-14H2,1H3,(H,24,25,26)/t22-/m0/s1 |
| InChIKey | InChI | 1.03 | YMQILTXHLHBFSK-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(NCC2CC2)nc3c1COC[C@@]34CCN(Cc5ccccc5F)C4 |
| SMILES | CACTVS | 3.385 | Cc1nc(NCC2CC2)nc3c1COC[C]34CCN(Cc5ccccc5F)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(nc(n1)NCC3CC3)C4(CCN(C4)Cc5ccccc5F)COC2 |
