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

Systemtic Name: 7-cyclopropyl-1,3-dimethyl-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-benzylsulfanyl-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopropyl-1,3-dimethyl-5-(phenylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-benzylsulfanyl-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(benzylthio)-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CC3)SCC4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C18H18N4O2S/c1-21-15-13(17(23)22(2)18(21)24)16(20-14(19-15)12-8-9-12)25-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3