1-butyl-3-methyl-5-sulfanylidene-7-thiophen-2-yl-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1-butyl-3-methyl-5-sulfanylidene-7-thiophen-2-yl-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-butyl-3-methyl-7-(2-thienyl)-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1-butyl-3-methyl-5-sulfanylidene-7-thiophen-2-yl-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1-butyl-3-methyl-5-sulfanylidene-7-thiophen-2-yl-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-butyl-3-methyl-7-(2-thienyl)-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C15H16N4O2S2 MolecularWeight: 348.44314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)N=C(N2)C3=CC=CS3)C(=O)N(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C(=S)N=C(N2)C3=CC=CS3)C(=O)N(C1=O)C

InChI

InChI=1S/C15H16N4O2S2/c1-3-4-7-19-12-10(14(20)18(2)15(19)21)13(22)17-11(16-12)9-6-5-8-23-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17,22)