6-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C17H18N5O2S- MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C17H19N5O2S/c1-9(2)11-6-4-5-10(3)14(11)19-13(23)8-25-17-20-15-12(7-18-22-15)16(24)21-17/h4-7,9H,8H2,1-3H3,(H,19,23)(H2,18,20,21,22,24)/p-1