N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-(3-methoxyphenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (6-mesyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(3-methoxyphenyl)amine Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=NN3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=NN3)S(=O)(=O)C

InChI

InChI=1S/C13H13N5O3S/c1-21-9-5-3-4-8(6-9)15-11-10-7-14-18-12(10)17-13(16-11)22(2,19)20/h3-7H,1-2H3,(H2,14,15,16,17,18)