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

Systemtic Name: 7-butyl-1,3-dimethyl-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-benzylsulfanyl-7-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-1,3-dimethyl-5-(phenylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-benzylsulfanyl-7-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(benzylthio)-7-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

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