PK3
Summary
Name: | 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
Formula: | C12 H14 N6 O2 |
Formal charge: | 0 |
Formula weight: | 274.279 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
OpenEye OEToolkits | 1.5.0 | 6-amino-4-(2-hydroxyethyl)-2-methylamino-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N |
SMILES_CANONICAL | CACTVS | 3.341 | CNc1[nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1 |
SMILES | CACTVS | 3.341 | CNc1[nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N |
InChI | InChI | 1.03 | InChI=1S/C12H14N6O2/c1-14-12-15-7-4-6-8(16-11(13)18-10(6)20)5(2-3-19)9(7)17-12/h4,19H,2-3H2,1H3,(H2,14,15,17)(H3,13,16,18,20) |
InChIKey | InChI | 1.03 | VKUWLKQBGXDONE-UHFFFAOYSA-N |