1,3-dimethyl-7-(phenylmethyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-benzyl-1,3-dimethyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-benzyl-1,3-dimethyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-benzyl-1,3-dimethyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N=C(N2)CC3=CC=CC=C3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=S)N=C(N2)CC3=CC=CC=C3)C(=O)N(C1=O)C

InChI

InChI=1S/C15H14N4O2S/c1-18-12-11(14(20)19(2)15(18)21)13(22)17-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,16,17,22)