methyl (4S)-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCCC3=CNC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCC3=CNC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C30H30N4O2/c1-21-27(29(35)36-2)28(23-13-7-4-8-14-23)33-30(34(21)20-22-11-5-3-6-12-22)31-18-17-24-19-32-26-16-10-9-15-25(24)26/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,31,33)/t28-/m0/s1