AP6
Summary
| Name: | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE |
| Formula: | C12 H14 N6 |
| Formal charge: | 0 |
| Formula weight: | 242.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | (6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c(nc2c(NC(c1ccccc1)CN2)c3N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(N)c2N[C@@H](CNc2n1)c3ccccc3 |
| SMILES | CACTVS | 3.341 | Nc1nc(N)c2N[CH](CNc2n1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C2CNc3c(c(nc(n3)N)N)N2 |
| InChI | InChI | 1.03 | InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | VEKRIXRQADJFAG-QMMMGPOBSA-N |
