propan-2-yl 4-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzoate Openeye Name: isopropyl 4-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoylamino]benzoate CAS Name: 4-[[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzoate Traditional Name: 4-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoylamino]benzoic acid isopropyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H25N5O5/c1-13(2)31-20(29)14-7-9-15(10-8-14)23-16(27)6-5-11-26-12-22-18-17(26)19(28)25(4)21(30)24(18)3/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,27)