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

Systemtic Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-ethoxyphenyl)-5-isopentylsulfanyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(3-methylbutylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-1,3-dimethyl-7-p-phenetyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-6-28-15-9-7-14(8-10-15)17-22-18-16(19(23-17)29-12-11-13(2)3)20(26)25(5)21(27)24(18)4/h7-10,13H,6,11-12H2,1-5H3