methyl (4S)-4-(4-bromophenyl)-6-methyl-1-(phenylmethyl)-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-6-methyl-1-(phenylmethyl)-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-2-(allylamino)-1-benzyl-4-(4-bromophenyl)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-6-methyl-1-(phenylmethyl)-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-6-methyl-2-(prop-2-enylamino)-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-(allylamino)-1-benzyl-4-(4-bromophenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H24BrN3O2 MolecularWeight: 454.35956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O2/c1-4-14-25-23-26-21(18-10-12-19(24)13-11-18)20(22(28)29-3)16(2)27(23)15-17-8-6-5-7-9-17/h4-13,21H,1,14-15H2,2-3H3,(H,25,26)/t21-/m0/s1