7-butyl-1,3-dimethyl-5-[(Z)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-butyl-1,3-dimethyl-5-[(Z)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanyl-7-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-5-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]thio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-5-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]thio]-7-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SC(=C(C)O)C(=O)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)S/C(=C(/C)\O)/C(=O)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H22N4O4S/c1-6-7-8-11-18-14-12(16(24)21(5)17(25)20(14)4)15(19-11)26-13(9(2)22)10(3)23/h22H,6-8H2,1-5H3/b13-9-