acetyloxymethyl 2-[3-[[6-azanyl-8-oxidanylidene-2-[(phenylmethyl)amino]-7H-purin-9-yl]methyl]phenyl]propanoate

Systemtic Name: acetyloxymethyl 2-[3-[[6-azanyl-8-oxidanylidene-2-[(phenylmethyl)amino]-7H-purin-9-yl]methyl]phenyl]propanoate Openeye Name: acetoxymethyl 2-[3-[[6-amino-2-(benzylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]propanoate CAS Name: 2-[3-[[6-amino-8-oxo-2-[(phenylmethyl)amino]-7H-purin-9-yl]methyl]phenyl]propanoic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 2-[3-[[6-amino-2-(benzylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]propanoate Traditional Name: 2-[3-[[6-amino-2-(benzylamino)-8-keto-7H-purin-9-yl]methyl]phenyl]propionic acid acetoxymethyl ester Formula: C25H26N6O5 MolecularWeight: 490.51114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)CN2C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)NC2=O)C(=O)OCOC(=O)C

Isomeric SMILES

CC(C1=CC=CC(=C1)CN2C3=C(C(=NC(=N3)NCC4=CC=CC=C4)N)NC2=O)C(=O)OCOC(=O)C

InChI

InChI=1S/C25H26N6O5/c1-15(23(33)36-14-35-16(2)32)19-10-6-9-18(11-19)13-31-22-20(28-25(31)34)21(26)29-24(30-22)27-12-17-7-4-3-5-8-17/h3-11,15H,12-14H2,1-2H3,(H,28,34)(H3,26,27,29,30)