6-(3-methylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-(3-methylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-(m-tolyl)-2-pyrrolidin-1-yl-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(3-methylphenyl)-2-(1-pyrrolidinyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-(3-methylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-(m-tolyl)-2-pyrrolidino-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCCC4

InChI

InChI=1S/C17H17N5OS/c1-11-5-4-6-12(9-11)22-10-18-14-13(16(22)24)15(23)20-17(19-14)21-7-2-3-8-21/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,20,23)