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

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3,7-dihydropurin-6-one Openeye Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3,7-dihydropurin-6-one CAS Name: 2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3,7-dihydropurin-6-one IUPAC Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3,7-dihydropurin-6-one Traditional Name: 2-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-3,7-dihydropurin-6-one Formula: C19H24N6O4S MolecularWeight: 432.49666

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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=CN4

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)N=CN4

InChI

InChI=1S/C19H24N6O4S/c1-3-10-29-15-5-4-13(30(27,28)25-8-6-24(2)7-9-25)11-14(15)17-22-18-16(19(26)23-17)20-12-21-18/h4-5,11-12H,3,6-10H2,1-2H3,(H2,20,21,22,23,26)