7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-acetonylsulfanyl-7-(4-ethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-oxopropylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-oxopropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(acetonylthio)-1,3-dimethyl-7-p-phenetyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H20N4O4S/c1-5-27-13-8-6-12(7-9-13)15-20-16-14(17(21-15)28-10-11(2)24)18(25)23(4)19(26)22(16)3/h6-9H,5,10H2,1-4H3