1-(dimethylamino)propan-2-yl 4-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate

Systemtic Name: 1-(dimethylamino)propan-2-yl 4-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoate Openeye Name: [2-(dimethylamino)-1-methyl-ethyl] 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]benzoic acid 1-(dimethylamino)propan-2-yl ester IUPAC Name: 1-(dimethylamino)propan-2-yl 4-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]benzoic acid [2-(dimethylamino)-1-methyl-ethyl] ester Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)OC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(CN(C)C)OC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C20H25N7O4/c1-12(10-26(2)3)31-19(30)13-4-6-14(7-5-13)23-15(28)8-9-27-11-22-16-17(27)24-20(21)25-18(16)29/h4-7,11-12H,8-10H2,1-3H3,(H,23,28)(H3,21,24,25,29)