methyl (4S)-2-[3-(diethylamino)propylamino]-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-2-[3-(diethylamino)propylamino]-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-2-[3-(diethylamino)propylamino]-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-2-[3-(diethylamino)propylamino]-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-[3-(diethylamino)propylamino]-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-[3-(diethylamino)propylamino]-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCCCN(CC)CC)C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCCCN(CC)CC)C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C22H34N4O2/c1-6-25(7-2)16-12-15-23-22-24-20(18-13-10-9-11-14-18)19(21(27)28-5)17(4)26(22)8-3/h9-11,13-14,20H,6-8,12,15-16H2,1-5H3,(H,23,24)/t20-/m0/s1