2-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-8-(phenylmethyl)-7-propyl-3H-purin-6-one

Systemtic Name: 2-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-8-(phenylmethyl)-7-propyl-3H-purin-6-one Openeye Name: 8-benzyl-2-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-7-propyl-3H-purin-6-one CAS Name: 2-[2-butoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-8-(phenylmethyl)-7-propyl-3H-purin-6-one IUPAC Name: 8-benzyl-2-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-propyl-3H-purin-6-one Traditional Name: 8-benzyl-2-[2-butoxy-5-(4-ethylpiperazino)sulfonyl-phenyl]-7-propyl-3H-purin-6-one Formula: C31H40N6O4S MolecularWeight: 592.7521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(N3)N=C(N4CCC)CC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(N3)N=C(N4CCC)CC5=CC=CC=C5

InChI

InChI=1S/C31H40N6O4S/c1-4-7-20-41-26-14-13-24(42(39,40)36-18-16-35(6-3)17-19-36)22-25(26)29-33-30-28(31(38)34-29)37(15-5-2)27(32-30)21-23-11-9-8-10-12-23/h8-14,22H,4-7,15-21H2,1-3H3,(H,33,34,38)