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

Systemtic Name: 1,3,7-trimethyl-5-[(3-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3,7-trimethyl-5-(m-tolylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3,7-trimethyl-5-[(3-methylphenyl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3,7-trimethyl-5-[(3-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3,7-trimethyl-5-[(3-methylbenzyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C17H18N4O2S/c1-10-6-5-7-12(8-10)9-24-15-13-14(18-11(2)19-15)20(3)17(23)21(4)16(13)22/h5-8H,9H2,1-4H3