VU6
Summary
| Name: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile |
| Formula: | C24 H27 N7 O S |
| Formal charge: | 0 |
| Formula weight: | 461.582 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H27N7OS/c1-14-13-27-10-11-31(14)23-28-9-6-17(29-23)20-15-4-2-7-24(21(15)32-30-20)8-3-5-18-19(24)16(12-25)22(26)33-18/h6,9,14,27H,2-5,7-8,10-11,13,26H2,1H3/t14-,24-/m0/s1 |
| InChIKey | InChI | 1.06 | PVOYBVVIBNPTPJ-BSEYFRJRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CNCCN1c2nccc(n2)c3noc4c3CCC[C@@]45CCCc6sc(N)c(C#N)c56 |
| SMILES | CACTVS | 3.385 | C[CH]1CNCCN1c2nccc(n2)c3noc4c3CCC[C]45CCCc6sc(N)c(C#N)c56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CNCCN1c2nccc(n2)c3c4c(on3)[C@@]5(CCC4)CCCc6c5c(c(s6)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CNCCN1c2nccc(n2)c3c4c(on3)C5(CCC4)CCCc6c5c(c(s6)N)C#N |
