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

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-1-butyl-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(1,3-benzodioxol-5-yl)-1-butyl-3-methyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(1,3-benzodioxol-5-yl)-1-butyl-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(1,3-benzodioxol-5-yl)-1-butyl-3-methyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(1,3-benzodioxol-5-yl)-1-butyl-3-methyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)N=C(N2)C3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C(=S)N=C(N2)C3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)C

InChI

InChI=1S/C18H18N4O4S/c1-3-4-7-22-15-13(17(23)21(2)18(22)24)16(27)20-14(19-15)10-5-6-11-12(8-10)26-9-25-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,20,27)