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

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-2-(furan-2-ylmethylamino)-6-methyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-2-(2-furylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-2-(2-furanylmethylamino)-6-methyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-4-(4-bromophenyl)-2-(furan-2-ylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-4-(4-bromophenyl)-2-(2-furfurylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C25H24BrN3O3 MolecularWeight: 494.38036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCC3=CC=CO3)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC=CO3)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C25H24BrN3O3/c1-17-22(24(30)31-2)23(19-10-12-20(26)13-11-19)28-25(27-15-21-9-6-14-32-21)29(17)16-18-7-4-3-5-8-18/h3-14,23H,15-16H2,1-2H3,(H,27,28)/t23-/m0/s1