N-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-morpholinosulfonyl-N-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]benzamide CAS Name: N-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]-4-morpholinosulfonyl-benzamide Formula: C23H22N6O5S MolecularWeight: 494.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H22N6O5S/c1-16-2-6-18(7-3-16)29-21-20(14-25-29)23(31)28(15-24-21)26-22(30)17-4-8-19(9-5-17)35(32,33)27-10-12-34-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,26,30)