methyl (4S)-6-methyl-2-(2-methylpropylamino)-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-methyl-2-(2-methylpropylamino)-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-2-(isobutylamino)-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-(2-methylpropylamino)-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-6-methyl-2-(2-methylpropylamino)-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-2-(isobutylamino)-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCC(C)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC(C)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H29N3O2/c1-17(2)15-25-24-26-22(20-13-9-6-10-14-20)21(23(28)29-4)18(3)27(24)16-19-11-7-5-8-12-19/h5-14,17,22H,15-16H2,1-4H3,(H,25,26)/t22-/m0/s1