ethyl 2-[(3-phenyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(3-phenyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-phenyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-yl)sulfanyl]acetate CAS Name: 2-[(3-phenyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-phenyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-yl)sulfanyl]acetate Traditional Name: 2-[(3-phenyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-yl)thio]acetic acid ethyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(CC2=NC3=CC=CC=C3N21)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC(CC2=NC3=CC=CC=C3N21)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c1-2-25-19(24)13-26-20-22-16(14-8-4-3-5-9-14)12-18-21-15-10-6-7-11-17(15)23(18)20/h3-11,16H,2,12-13H2,1H3