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

Systemtic Name: 2-[2-propoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-3,7-dihydropurin-6-one Openeye Name: 2-[2-propoxy-5-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-phenyl]-3,7-dihydropurin-6-one CAS Name: 2-[2-propoxy-5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-propoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3,7-dihydropurin-6-one Traditional Name: 2-[2-propoxy-5-[4-(2-pyridyl)piperazino]sulfonyl-phenyl]-3,7-dihydropurin-6-one Formula: C23H25N7O4S MolecularWeight: 495.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C4=NC(=O)C5=C(N4)N=CN5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C4=NC(=O)C5=C(N4)N=CN5

InChI

InChI=1S/C23H25N7O4S/c1-2-13-34-18-7-6-16(14-17(18)21-27-22-20(23(31)28-21)25-15-26-22)35(32,33)30-11-9-29(10-12-30)19-5-3-4-8-24-19/h3-8,14-15H,2,9-13H2,1H3,(H2,25,26,27,28,31)