05I
Summary
| Name: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine |
| Formula: | C30 H38 N6 O |
| Formal charge: | 0 |
| Formula weight: | 498.662 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-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/C30H38N6O/c1-20-6-3-7-21-8-4-10-27(28(20)21)35-15-13-25-26(18-35)32-30(37-19-24-9-5-14-34(24)2)33-29(25)36-16-22-11-12-23(17-36)31-22/h3-4,6-8,10,22-24,31H,5,9,11-19H2,1-2H3/t22-,23+,24-/m0/s1 |
| InChIKey | InChI | 1.03 | KIWVGCSJQTTZJO-VXNXHJTFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H]1COc2nc3CN(CCc3c(n2)N4C[C@@H]5CC[C@H](C4)N5)c6cccc7cccc(C)c67 |
| SMILES | CACTVS | 3.385 | CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4C[CH]5CC[CH](C4)N5)c6cccc7cccc(C)c67 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CC6CCC(C5)N6)OCC7CCCN7C)C3 |
