methyl (4S,5R)-4-(2,5-dimethylphenyl)-2-oxidanylidene-6-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4S,5R)-4-(2,5-dimethylphenyl)-2-oxidanylidene-6-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5R)-4-(2,5-dimethylphenyl)-2-oxo-6-(pyrrolidin-1-ylmethylene)hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2,5-dimethylphenyl)-2-oxo-6-(1-pyrrolidinylmethylidene)-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(2,5-dimethylphenyl)-2-oxo-6-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2,5-dimethylphenyl)-2-keto-6-(pyrrolidinomethylene)hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(C(=CN3CCCC3)NC(=O)N2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@@H]2[C@H](C(=CN3CCCC3)NC(=O)N2)C(=O)OC

InChI

InChI=1S/C19H25N3O3/c1-12-6-7-13(2)14(10-12)17-16(18(23)25-3)15(20-19(24)21-17)11-22-8-4-5-9-22/h6-7,10-11,16-17H,4-5,8-9H2,1-3H3,(H2,20,21,24)/t16-,17+/m0/s1