ethyl 4-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C19H28N6O5 MolecularWeight: 420.46282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H28N6O5/c1-4-30-19(29)24-10-7-13(8-11-24)21-14(26)6-5-9-25-12-20-16-15(25)17(27)23(3)18(28)22(16)2/h12-13H,4-11H2,1-3H3,(H,21,26)