1,3-dimethyl-5-[(2-methylphenyl)methylsulfanyl]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-[(2-methylphenyl)methylsulfanyl]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-(o-tolylmethylsulfanyl)-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(2-methylphenyl)methylthio]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(2-methylphenyl)methylsulfanyl]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-[(2-methylbenzyl)thio]-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC3=CC=CC=C3C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC3=CC=CC=C3C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H22N4O2S/c1-5-8-14-20-16-15(18(24)23(4)19(25)22(16)3)17(21-14)26-11-13-10-7-6-9-12(13)2/h6-7,9-10H,5,8,11H2,1-4H3