3-(2-oxidanylidene-10H-pyrimido[1,2-a]benzimidazol-3-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(2-oxidanylidene-10H-pyrimido[1,2-a]benzimidazol-3-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(2-oxo-10H-pyrimido[1,2-a]benzimidazol-3-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(2-oxo-10H-pyrimido[1,2-a]benzimidazol-3-yl)propyl ester IUPAC Name: 3-(2-oxo-10H-pyrimido[1,2-a]benzimidazol-3-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2-keto-10H-pyrimido[1,2-a]benzimidazol-3-yl)propyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CN3C4=CC=CC=C4NC3=NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CN3C4=CC=CC=C4NC3=NC2=O

InChI

InChI=1S/C20H19N3O4S/c1-14-8-10-16(11-9-14)28(25,26)27-12-4-5-15-13-23-18-7-3-2-6-17(18)21-20(23)22-19(15)24/h2-3,6-11,13H,4-5,12H2,1H3,(H,21,22,24)