7ME
Summary
| Name: | (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine |
| Formula: | C9 H14 N4 |
| Formal charge: | 0 |
| Formula weight: | 178.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.7.0 | (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c2c(c(nc1N)N)CCC(C2)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1CCc2c(N)nc(N)nc2C1 |
| SMILES | CACTVS | 3.370 | C[CH]1CCc2c(N)nc(N)nc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]1CCc2c(nc(nc2N)N)C1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1CCc2c(nc(nc2N)N)C1 |
| InChI | InChI | 1.03 | InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | GXOHKQZNOVLQOK-YFKPBYRVSA-N |
