E89
Summary
| Name: | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE |
| Formula: | C18 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 335.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.5.0 | 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(OC)cc4)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1 |
| SMILES | CACTVS | 3.341 | COc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24) |
| InChIKey | InChI | 1.03 | UKRVQKUVWNDGMN-UHFFFAOYSA-N |
