4-[[(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[(6-allyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(1,3-dimethyl-7-oxo-6-prop-2-enyl-5-pyrazolo[4,3-d]pyrimidinyl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(1,3-dimethyl-7-oxo-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(6-allyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C17H20N6O3S/c1-4-9-23-16(24)15-14(11(2)21-22(15)3)20-17(23)19-10-12-5-7-13(8-6-12)27(18,25)26/h4-8H,1,9-10H2,2-3H3,(H,19,20)(H2,18,25,26)