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

Systemtic Name: methyl (4S)-6-methyl-2-(4-oxidanylbutylamino)-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-benzyl-2-(4-hydroxybutylamino)-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-2-(4-hydroxybutylamino)-6-methyl-4-phenyl-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-benzyl-2-(4-hydroxybutylamino)-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-benzyl-2-(4-hydroxybutylamino)-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-18-21(23(29)30-2)22(20-13-7-4-8-14-20)26-24(25-15-9-10-16-28)27(18)17-19-11-5-3-6-12-19/h3-8,11-14,22,28H,9-10,15-17H2,1-2H3,(H,25,26)/t22-/m0/s1