methyl (4S)-1-ethyl-6-methyl-4-phenyl-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-1-ethyl-6-methyl-4-phenyl-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-2-(allylamino)-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-6-methyl-4-phenyl-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-6-methyl-4-phenyl-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-(allylamino)-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCC=C)C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCC=C)C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C18H23N3O2/c1-5-12-19-18-20-16(14-10-8-7-9-11-14)15(17(22)23-4)13(3)21(18)6-2/h5,7-11,16H,1,6,12H2,2-4H3,(H,19,20)/t16-/m0/s1