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

Systemtic Name: 6-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-(1-pyrrolidinyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-pyrrolidino-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=O)C3=C(N2)N=CN(C3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=NC(=O)C3=C(N2)N=CN(C3=S)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H14ClN5OS/c17-10-3-5-11(6-4-10)22-9-18-13-12(15(22)24)14(23)20-16(19-13)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,19,20,23)