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

Systemtic Name: 2-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-8-(phenylmethyl)-9-propyl-3H-purin-6-one Openeye Name: 8-benzyl-2-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-9-propyl-3H-purin-6-one CAS Name: 2-[2-butoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-8-(phenylmethyl)-9-propyl-3H-purin-6-one IUPAC Name: 8-benzyl-2-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-9-propyl-3H-purin-6-one Traditional Name: 8-benzyl-2-[2-butoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-9-propyl-3H-purin-6-one Formula: C30H39N7O4S MolecularWeight: 593.74016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C30H39N7O4S/c1-4-7-18-41-30-24(20-23(21-31-30)42(39,40)36-16-14-35(6-3)15-17-36)27-33-28-26(29(38)34-27)32-25(37(28)13-5-2)19-22-11-9-8-10-12-22/h8-12,20-21H,4-7,13-19H2,1-3H3,(H,33,34,38)