9-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-8-pyridin-3-yl-3H-purin-6-one

Systemtic Name: 9-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-8-pyridin-3-yl-3H-purin-6-one Openeye Name: 9-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-8-(3-pyridyl)-3H-purin-6-one CAS Name: 9-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-8-(3-pyridinyl)-3H-purin-6-one IUPAC Name: 9-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-8-pyridin-3-yl-3H-purin-6-one Traditional Name: 9-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-8-(3-pyridyl)-3H-purin-6-one Formula: C24H27N7O4S MolecularWeight: 509.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)N3C4=C(C(=O)N=CN4)N=C3C5=CN=CC=C5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)N3C4=C(C(=O)N=CN4)N=C3C5=CN=CC=C5

InChI

InChI=1S/C24H27N7O4S/c1-3-13-35-20-7-6-18(36(33,34)30-11-9-29(2)10-12-30)14-19(20)31-22(17-5-4-8-25-15-17)28-21-23(31)26-16-27-24(21)32/h4-8,14-16H,3,9-13H2,1-2H3,(H,26,27,32)