3-azanyl-2-[3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[3-[4-(4-methyl-2-quinolyl)piperazin-1-yl]propylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[3-[4-(4-methyl-2-quinolinyl)-1-piperazinyl]propylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-amino-2-[3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[3-[4-(4-methyl-2-quinolyl)piperazino]propylthio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H32N6OS2 MolecularWeight: 520.71258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)CCCSC4=NC5=C(C6=C(S5)CCCC6)C(=O)N4N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)CCCSC4=NC5=C(C6=C(S5)CCCC6)C(=O)N4N

InChI

InChI=1S/C27H32N6OS2/c1-18-17-23(29-21-9-4-2-7-19(18)21)32-14-12-31(13-15-32)11-6-16-35-27-30-25-24(26(34)33(27)28)20-8-3-5-10-22(20)36-25/h2,4,7,9,17H,3,5-6,8,10-16,28H2,1H3