methyl 1-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C17H23N5O5/c1-20-10-18-13-12(20)14(24)22(16(26)21(13)2)9-11(23)19-17(15(25)27-3)7-5-4-6-8-17/h10H,4-9H2,1-3H3,(H,19,23)