methyl 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cyclohexane-1-carboxylate Openeye Name: methyl 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclohexanecarboxylate CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclohexane-1-carboxylate Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)cyclohexanecarboxylic acid methyl ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H28N4O4/c1-4-10-22-16-14(17(24)23(11-5-2)19(22)26)20-15(21-16)12-6-8-13(9-7-12)18(25)27-3/h12-13H,4-11H2,1-3H3,(H,20,21)