6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3NC4C(=CNN4C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3NC4C(=CNN4C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C20H20N6OS/c1-12-7-8-15-16(9-12)23-20(22-15)28-11-17-24-18-14(19(27)25-17)10-21-26(18)13-5-3-2-4-6-13/h2-10,17-18,21,24H,11H2,1H3,(H,22,23)(H,25,27)