WS7
Summary
| Name: | (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one |
| Formula: | C11 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 233.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-9a-methyl-3,6,7,8,9,10-hexahydrobenzo[g]pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=3N=C1CCCCC1(NC=3N=C(N)N2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O/c1-11-5-3-2-4-6(11)13-7-8(16-11)14-10(12)15-9(7)17/h2-5H2,1H3,(H4,12,14,15,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | XYPFLEQXXSUWGL-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCCCC1=NC3=C(N2)N=C(N)NC3=O |
| SMILES | CACTVS | 3.385 | C[C]12CCCCC1=NC3=C(N2)N=C(N)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N |
