7-cyclopentyl-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-cyclopentyl-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-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-5-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]thio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopentyl-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-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3CCCC3)O

Isomeric SMILES

C/C(=C(\C(=O)C)/SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3CCCC3)/O

InChI

InChI=1S/C18H22N4O4S/c1-9(23)13(10(2)24)27-16-12-15(21(3)18(26)22(4)17(12)25)19-14(20-16)11-7-5-6-8-11/h11,23H,5-8H2,1-4H3/b13-9-