[[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2-formamidoethanoate

Systemtic Name: [[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2-formamidoethanoate Openeye Name: [(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] 2-formamidoacetate CAS Name: 2-formamidoacetic acid [[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]-phenylmethyl] ester IUPAC Name: [[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]-phenylmethyl] 2-formamidoacetate Traditional Name: 2-formamidoacetic acid [(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)-phenyl-methyl] ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)CNC=O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)CNC=O

InChI

InChI=1S/C20H23N5O5/c1-13(2)10-24-17-16(18(28)23(3)20(24)29)25(11-22-17)19(14-7-5-4-6-8-14)30-15(27)9-21-12-26/h4-8,11-13,19H,9-10H2,1-3H3,(H,21,26)