1,3-dimethyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]pyrimidine-2,4-quinone Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H16N6O2S/c1-22-13(8-15(25)23(2)18(22)26)10-27-17-14-9-21-24(16(14)19-11-20-17)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3