3-methyl-8-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]sulfonyl-quinoline Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C20H21N7O2S/c1-14-10-15-4-3-5-17(18(15)21-11-14)30(28,29)27-8-6-26(7-9-27)20-16-12-24-25(2)19(16)22-13-23-20/h3-5,10-13H,6-9H2,1-2H3