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

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-2-(cyclopropylmethylamino)-6-methyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-2-(cyclopropylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-2-(cyclopropylmethylamino)-6-methyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-2-(cyclopropylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-4-(4-bromophenyl)-2-(cyclopropylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C24H26BrN3O2 MolecularWeight: 468.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCC3CC3)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3CC3)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C24H26BrN3O2/c1-16-21(23(29)30-2)22(19-10-12-20(25)13-11-19)27-24(26-14-17-8-9-17)28(16)15-18-6-4-3-5-7-18/h3-7,10-13,17,22H,8-9,14-15H2,1-2H3,(H,26,27)/t22-/m0/s1