8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-(pyridin-2-ylmethyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-(pyridin-2-ylmethyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-(2-pyridylmethyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-6-(2-pyridinylmethyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-6-(pyridin-2-ylmethyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-6-(2-pyridylmethyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C26H29N9O4S MolecularWeight: 563.63136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C5NN=CN5C(=O)N(C4=N3)CC6=CC=CC=N6

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C5NN=CN5C(=O)N(C4=N3)CC6=CC=CC=N6

InChI

InChI=1S/C26H29N9O4S/c1-3-14-39-21-8-7-19(40(37,38)33-12-10-32(2)11-13-33)15-20(21)23-29-22-24(30-23)34(16-18-6-4-5-9-27-18)26(36)35-17-28-31-25(22)35/h4-9,15,17,31H,3,10-14,16H2,1-2H3