6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2-azanylbenzoate

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2-azanylbenzoate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] 2-aminobenzoate CAS Name: 2-aminobenzoic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminobenzoate Traditional Name: 2-aminobenzoic acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C3=CC=CC=C3N

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C3=CC=CC=C3N

InChI

InChI=1S/C20H25N5O4/c1-13(29-19(27)14-9-4-5-10-15(14)21)8-6-7-11-25-18(26)16-17(22-12-23(16)2)24(3)20(25)28/h4-5,9-10,12-13H,6-8,11,21H2,1-3H3