butyl (4S)-2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: butyl (4S)-2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: butyl (4S)-2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (4S)-2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (4S)-2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid butyl ester Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2[C@H]1C4=CC=CC=C4)C

InChI

InChI=1S/C22H23N3O2/c1-3-4-14-27-21(26)19-15(2)23-22-24-17-12-8-9-13-18(17)25(22)20(19)16-10-6-5-7-11-16/h5-13,20H,3-4,14H2,1-2H3,(H,23,24)/t20-/m0/s1