K75
Summary
| Name: | (8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine |
| Formula: | C13 H14 N6 |
| Formal charge: | 0 |
| Formula weight: | 254.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N6/c1-3-4-8-7-5-10-11(19-13(15-2)18-10)6-9(7)17-12(14)16-8/h5-6,8H,1-2H3,(H3,14,16,17)(H2,15,18,19)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | BBZKTHUVWQCRHC-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1[nH]c2cc3N=C(N)N[C@H](C#CC)c3cc2n1 |
| SMILES | CACTVS | 3.385 | CNc1[nH]c2cc3N=C(N)N[CH](C#CC)c3cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC#CC1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC |
