6-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-(4-methyl-1-piperidyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-(4-methyl-1-piperidinyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-(4-methylpiperidino)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=O)C3=C(N2)N=CN(C3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCN(CC1)C2=NC(=O)C3=C(N2)N=CN(C3=S)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN5OS/c1-11-6-8-23(9-7-11)18-21-15-14(16(25)22-18)17(26)24(10-20-15)13-4-2-12(19)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,21,22,25)