E67
Summary
| Name: | 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine |
| Formula: | C31 H47 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 549.751 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.7.0 | 7-(5-azanylpentoxy)-N2-[3-(dimethylamino)propyl]-6-methoxy-N4-[1-(phenylmethyl)piperidin-4-yl]quinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c4cc1c(nc(nc1NC3CCN(Cc2ccccc2)CC3)NCCCN(C)C)cc4OCCCCCN)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2c(NC3CCN(CC3)Cc4ccccc4)nc(NCCCN(C)C)nc2cc1OCCCCCN |
| SMILES | CACTVS | 3.370 | COc1cc2c(NC3CCN(CC3)Cc4ccccc4)nc(NCCCN(C)C)nc2cc1OCCCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN |
| InChI | InChI | 1.03 | InChI=1S/C31H47N7O2/c1-37(2)17-10-16-33-31-35-27-22-29(40-20-9-5-8-15-32)28(39-3)21-26(27)30(36-31)34-25-13-18-38(19-14-25)23-24-11-6-4-7-12-24/h4,6-7,11-12,21-22,25H,5,8-10,13-20,23,32H2,1-3H3,(H2,33,34,35,36) |
| InChIKey | InChI | 1.03 | KJNBMUDJPFXUTG-UHFFFAOYSA-N |
