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

Systemtic Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-isopentylsulfanyl-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(3-methylbutylthio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H22N4O2S MolecularWeight: 370.46858

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-12(2)10-11-26-17-14-16(22(3)19(25)23(4)18(14)24)20-15(21-17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3