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

Systemtic Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-isopentylsulfanyl-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(3-methylbutylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24N4O3S/c1-12(2)9-10-28-18-15-17(23(3)20(26)24(4)19(15)25)21-16(22-18)13-7-6-8-14(11-13)27-5/h6-8,11-12H,9-10H2,1-5H3