1-(cyclohexylmethyl)piperidine; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 1-(cyclohexylmethyl)piperidine; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 1-(cyclohexylmethyl)piperidine; 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 1-(cyclohexylmethyl)piperidine; 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 1-(cyclohexylmethyl)piperidine; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 1-(cyclohexylmethyl)piperidine; 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C21H33N5O4 MolecularWeight: 419.51782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CCC(CC1)CN2CCCCC2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CCC(CC1)CN2CCCCC2

InChI

InChI=1S/C12H23N.C9H10N4O4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h12H,1-11H2;4H,3H2,1-2H3,(H,14,15)