44V
Summary
| Name: | (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one |
| Formula: | C7 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 181.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.9.2 | (6S)-2-azanyl-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C2=C(N=C(N)N1)NCC(N2)C |
| InChI | InChI | 1.03 | InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | HWOZEJJVUCALGB-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N |
| SMILES | CACTVS | 3.385 | C[CH]1CNC2=C(N1)C(=O)NC(=N2)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1CNC2=C(N1)C(=O)NC(=N2)N |
