methyl (6S)-3-cyclopropyl-2-oxidanylidene-6-phenyl-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-cyclopropyl-2-oxidanylidene-6-phenyl-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-(1-piperidylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-(1-piperidinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-2-keto-6-phenyl-4-(piperidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CN4CCCCC4

Isomeric SMILES

COC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=CC=C2)C3CC3)CN4CCCCC4

InChI

InChI=1S/C21H27N3O3/c1-27-20(25)18-17(14-23-12-6-3-7-13-23)24(16-10-11-16)21(26)22-19(18)15-8-4-2-5-9-15/h2,4-5,8-9,16,19H,3,6-7,10-14H2,1H3,(H,22,26)/t19-/m0/s1