2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H21N4OS+ MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=C(N3C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=C(N3C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4OS/c1-15-7-10-20-24-17(11-21(27)25(20)13-15)14-28-22-23-12-19(26(22)18-8-9-18)16-5-3-2-4-6-16/h2-7,10-13,18H,8-9,14H2,1H3/p+1