[2-(acetyloxymethyl)-4-[2-azanyl-6-(diphenylmethyl)sulfanyl-purin-7-yl]butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[2-azanyl-6-(diphenylmethyl)sulfanyl-purin-7-yl]butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-(2-amino-6-benzhydrylsulfanyl-purin-7-yl)butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-[2-amino-6-[(diphenylmethyl)thio]-7-purinyl]butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-(2-amino-6-benzhydrylsulfanylpurin-7-yl)butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-[2-amino-6-(benzhydrylthio)purin-7-yl]butyl] ester Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=C1C(=NC(=N2)N)SC(C3=CC=CC=C3)C4=CC=CC=C4)COC(=O)C

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=C1C(=NC(=N2)N)SC(C3=CC=CC=C3)C4=CC=CC=C4)COC(=O)C

InChI

InChI=1S/C27H29N5O4S/c1-18(33)35-15-20(16-36-19(2)34)13-14-32-17-29-25-23(32)26(31-27(28)30-25)37-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17,20,24H,13-16H2,1-2H3,(H2,28,30,31)