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

Systemtic Name: 5-butylsulfanyl-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-butylsulfanyl-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(butylthio)-7-(3-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-butylsulfanyl-7-(3-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(butylthio)-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c1-5-6-10-27-17-14-16(22(2)19(25)23(3)18(14)24)20-15(21-17)12-8-7-9-13(11-12)26-4/h7-9,11H,5-6,10H2,1-4H3