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

Systemtic Name: 1,3,7-trimethyl-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-benzylsulfanyl-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3,7-trimethyl-5-(phenylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-benzylsulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(benzylthio)-1,3,7-trimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H16N4O2S/c1-10-17-13-12(15(21)20(3)16(22)19(13)2)14(18-10)23-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3