V88
Summary
| Name: | 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine |
| Formula: | C32 H47 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 561.761 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-~{N}2-[2-(dimethylamino)ethyl]-6-methoxy-~{N}4-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C32H47N7O2/c1-23(2)39-15-11-26(12-16-39)34-31-27-19-29(40-5)30(20-28(27)35-32(36-31)33-13-17-37(3)4)41-18-8-14-38-21-24-9-6-7-10-25(24)22-38/h6-7,9-10,19-20,23,26H,8,11-18,21-22H2,1-5H3,(H2,33,34,35,36) |
| InChIKey | InChI | 1.03 | CHEFNBAYIGSOIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(NC3CCN(CC3)C(C)C)nc(NCCN(C)C)nc2cc1OCCCN4Cc5ccccc5C4 |
| SMILES | CACTVS | 3.385 | COc1cc2c(NC3CCN(CC3)C(C)C)nc(NCCN(C)C)nc2cc1OCCCN4Cc5ccccc5C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NCCN(C)C)OCCCN4Cc5ccccc5C4)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NCCN(C)C)OCCCN4Cc5ccccc5C4)OC |
