(2-azanyl-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate; methanoic acid

Systemtic Name: (2-azanyl-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate; methanoic acid Openeye Name: (2-amino-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexanecarboxylate; formic acid CAS Name: 1-cyclohexyl-1-cyclohexanecarboxylic acid (2-amino-1,4,5,6-tetrahydropyrimidin-5-yl) ester; formic acid IUPAC Name: (2-amino-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate; formic acid Traditional Name: 1-cyclohexylcyclohexanecarboxylic acid (2-amino-1,4,5,6-tetrahydropyrimidin-5-yl) ester; formic acid Formula: C18H31N3O4 MolecularWeight: 353.45644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(CCCCC2)C(=O)OC3CNC(=NC3)N.C(=O)O

Isomeric SMILES

C1CCC(CC1)C2(CCCCC2)C(=O)OC3CNC(=NC3)N.C(=O)O

InChI

InChI=1S/C17H29N3O2.CH2O2/c18-16-19-11-14(12-20-16)22-15(21)17(9-5-2-6-10-17)13-7-3-1-4-8-13;2-1-3/h13-14H,1-12H2,(H3,18,19,20);1H,(H,2,3)