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

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl 2-azanylethanoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl 2-aminoacetate CAS Name: 2-aminoacetic acid [1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl 2-aminoacetate Traditional Name: 2-aminoacetic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)CN

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)CN

InChI

InChI=1S/C13H19N5O4/c1-8(2)5-18-11-10(12(20)16(3)13(18)21)17(6-15-11)7-22-9(19)4-14/h6,8H,4-5,7,14H2,1-3H3