N6-(3H-benzimidazol-5-yl)-N4-cyclopropyl-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(3H-benzimidazol-5-yl)-N4-cyclopropyl-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(3H-benzimidazol-5-yl)-N4-cyclopropyl-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3H-benzimidazol-5-yl)-N4-cyclopropyl-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3H-benzimidazol-5-yl)-4-N-cyclopropyl-3-methylsulfonyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 3H-benzimidazol-5-yl-[4-(cyclopropylamino)-3-mesyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C16H16N8O2S MolecularWeight: 384.41564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=NN1)N=C(N=C2NC3CC3)NC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

CS(=O)(=O)C1=C2C(=NN1)N=C(N=C2NC3CC3)NC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C16H16N8O2S/c1-27(25,26)15-12-13(19-8-2-3-8)21-16(22-14(12)23-24-15)20-9-4-5-10-11(6-9)18-7-17-10/h4-8H,2-3H2,1H3,(H,17,18)(H3,19,20,21,22,23,24)