2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-8-(phenylmethyl)-9-propyl-3H-purin-6-one

Systemtic Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-8-(phenylmethyl)-9-propyl-3H-purin-6-one Openeye Name: 8-benzyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one CAS Name: 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-8-(phenylmethyl)-9-propyl-3H-purin-6-one IUPAC Name: 8-benzyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-9-propyl-3H-purin-6-one Traditional Name: 8-benzyl-2-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-phenyl]-9-propyl-3H-purin-6-one Formula: C29H36N6O4S MolecularWeight: 564.69894

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)CC5=CC=CC=C5

InChI

InChI=1S/C29H36N6O4S/c1-4-14-35-25(19-21-10-8-7-9-11-21)30-26-28(35)31-27(32-29(26)36)23-20-22(12-13-24(23)39-6-3)40(37,38)34-17-15-33(5-2)16-18-34/h7-13,20H,4-6,14-19H2,1-3H3,(H,31,32,36)