methyl (4S)-2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-benzyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-benzyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-6-methyl-4-phenyl-2-(piperonylamino)-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C28H27N3O4/c1-19-25(27(32)33-2)26(22-11-7-4-8-12-22)30-28(31(19)17-20-9-5-3-6-10-20)29-16-21-13-14-23-24(15-21)35-18-34-23/h3-15,26H,16-18H2,1-2H3,(H,29,30)/t26-/m0/s1