2-[6-azanyl-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[6-azanyl-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[6-amino-9-[2-(2-methylphenoxy)ethyl]-8-purinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C26H29N7O2S MolecularWeight: 503.61916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N7O2S/c1-19-7-5-6-10-21(19)35-16-15-33-25-23(24(27)28-18-29-25)30-26(33)36-17-22(34)32-13-11-31(12-14-32)20-8-3-2-4-9-20/h2-10,18H,11-17H2,1H3,(H2,27,28,29)