methyl (4S)-6-methyl-2-(4-oxidanylbutylamino)-4-phenethyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-methyl-2-(4-oxidanylbutylamino)-4-phenethyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-2-(4-hydroxybutylamino)-6-methyl-4-phenethyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-2-(4-hydroxybutylamino)-6-methyl-4-phenethyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-2-(4-hydroxybutylamino)-6-methyl-4-phenethyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-2-(4-hydroxybutylamino)-6-methyl-4-phenethyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCCCCO)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N=C(N1CC2=CC=CC=C2)NCCCCO)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H33N3O3/c1-20-24(25(31)32-2)23(16-15-21-11-5-3-6-12-21)28-26(27-17-9-10-18-30)29(20)19-22-13-7-4-8-14-22/h3-8,11-14,23,30H,9-10,15-19H2,1-2H3,(H,27,28)/t23-/m0/s1