7-butyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-butyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H24N4O4S/c1-5-6-7-16-22-18-17(20(27)25(3)21(28)24(18)2)19(23-16)30-12-15(26)13-8-10-14(29-4)11-9-13/h8-11H,5-7,12H2,1-4H3