1-butyl-7-(2-chlorophenyl)-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1-butyl-7-(2-chlorophenyl)-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-butyl-7-(2-chlorophenyl)-3-methyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1-butyl-7-(2-chlorophenyl)-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1-butyl-7-(2-chlorophenyl)-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-butyl-7-(2-chlorophenyl)-3-methyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)N=C(N2)C3=CC=CC=C3Cl)C(=O)N(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C(=S)N=C(N2)C3=CC=CC=C3Cl)C(=O)N(C1=O)C

InChI

InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-14-12(16(23)21(2)17(22)24)15(25)20-13(19-14)10-7-5-6-8-11(10)18/h5-8H,3-4,9H2,1-2H3,(H,19,20,25)