2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-8-pyridin-3-yl-3,7-dihydropurin-6-one

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-8-pyridin-3-yl-3,7-dihydropurin-6-one Openeye Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-8-(3-pyridyl)-3,7-dihydropurin-6-one CAS Name: 2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-8-(3-pyridinyl)-3,7-dihydropurin-6-one IUPAC Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-8-pyridin-3-yl-3,7-dihydropurin-6-one Traditional Name: 2-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-8-(3-pyridyl)-3,7-dihydropurin-6-one Formula: C24H27N7O4S MolecularWeight: 509.58068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)N=C(N4)C5=CN=CC=C5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)N=C(N4)C5=CN=CC=C5

InChI

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