05C
Summary
| Name: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine |
| Formula: | C29 H38 N6 O |
| Formal charge: | 0 |
| Formula weight: | 486.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H38N6O/c1-20-7-4-8-22-9-5-11-26(27(20)22)34-15-12-24-25(18-34)31-29(36-19-23-10-6-14-33(23)3)32-28(24)35-16-13-30-17-21(35)2/h4-5,7-9,11,21,23,30H,6,10,12-19H2,1-3H3/t21-,23+/m1/s1 |
| InChIKey | InChI | 1.03 | UAZYYGRPOMNMMP-GGAORHGYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CNCCN1c2nc(OC[C@@H]3CCCN3C)nc4CN(CCc24)c5cccc6cccc(C)c56 |
| SMILES | CACTVS | 3.385 | C[CH]1CNCCN1c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6cccc(C)c56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNCC5C)OCC6CCCN6C)C3 |
