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

Systemtic Name: butyl 4-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5/c1-4-5-13-32-21(30)15-8-10-16(11-9-15)24-17(28)7-6-12-27-14-23-19-18(27)20(29)26(3)22(31)25(19)2/h8-11,14H,4-7,12-13H2,1-3H3,(H,24,28)