3-methyl-2-[4-(phenylmethyl)phthalazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-dithione

Systemtic Name: 3-methyl-2-[4-(phenylmethyl)phthalazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-dithione Openeye Name: 2-(4-benzylphthalazin-1-yl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dithione CAS Name: 3-methyl-2-[4-(phenylmethyl)-1-phthalazinyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-dithione IUPAC Name: 2-(4-benzylphthalazin-1-yl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dithione Traditional Name: 2-(4-benzylphthalazin-1-yl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dithione Formula: C21H16N6S2 MolecularWeight: 416.52194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=S)NC2=S)NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=NC(=S)NC2=S)NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C21H16N6S2/c1-12-17-18(22-21(29)23-20(17)28)26-27(12)19-15-10-6-5-9-14(15)16(24-25-19)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,22,23,26,28,29)