4-[2-(1H-indazol-4-yl)-9-methyl-8-[(4-methylsulfonylpiperazin-1-yl)methyl]purin-6-yl]morpholine

Systemtic Name: 4-[2-(1H-indazol-4-yl)-9-methyl-8-[(4-methylsulfonylpiperazin-1-yl)methyl]purin-6-yl]morpholine Openeye Name: 4-[2-(1H-indazol-4-yl)-9-methyl-8-[(4-methylsulfonylpiperazin-1-yl)methyl]purin-6-yl]morpholine CAS Name: 4-[2-(1H-indazol-4-yl)-9-methyl-8-[(4-methylsulfonyl-1-piperazinyl)methyl]-6-purinyl]morpholine IUPAC Name: 4-[2-(1H-indazol-4-yl)-9-methyl-8-[(4-methylsulfonylpiperazin-1-yl)methyl]purin-6-yl]morpholine Traditional Name: 4-[2-(1H-indazol-4-yl)-8-[(4-mesylpiperazino)methyl]-9-methyl-purin-6-yl]morpholine Formula: C23H29N9O3S MolecularWeight: 511.59986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=NNC5=CC=C4)CN6CCN(CC6)S(=O)(=O)C

Isomeric SMILES

CN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=NNC5=CC=C4)CN6CCN(CC6)S(=O)(=O)C

InChI

InChI=1S/C23H29N9O3S/c1-29-19(15-30-6-8-32(9-7-30)36(2,33)34)25-20-22(29)26-21(27-23(20)31-10-12-35-13-11-31)16-4-3-5-18-17(16)14-24-28-18/h3-5,14H,6-13,15H2,1-2H3,(H,24,28)