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

Systemtic Name: 5-butylsulfanyl-7-(3,4-dimethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-butylsulfanyl-7-(3,4-dimethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(butylthio)-7-(3,4-dimethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-butylsulfanyl-7-(3,4-dimethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(butylthio)-7-(3,4-dimethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H24N4O4S/c1-6-7-10-29-18-15-17(23(2)20(26)24(3)19(15)25)21-16(22-18)12-8-9-13(27-4)14(11-12)28-5/h8-9,11H,6-7,10H2,1-5H3