(phenylmethyl) 2-[1-methyl-9-(4-methylphenyl)-2,4-bis(oxidanylidene)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-methyl-9-(4-methylphenyl)-2,4-bis(oxidanylidene)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]ethanoate Openeye Name: benzyl 2-[1-methyl-2,4-dioxo-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate CAS Name: 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate Traditional Name: 2-[2,4-diketo-1-methyl-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid benzyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O4/c1-17-9-11-19(12-10-17)28-13-6-14-29-21-22(26-24(28)29)27(2)25(33)30(23(21)32)15-20(31)34-16-18-7-4-3-5-8-18/h3-5,7-12H,6,13-16H2,1-2H3