1-(3-methylbutyl)-2-(pyrimidin-2-ylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one

Systemtic Name: 1-(3-methylbutyl)-2-(pyrimidin-2-ylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one Openeye Name: 1-isopentyl-2-(pyrimidin-2-ylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one CAS Name: 1-(3-methylbutyl)-2-[(2-pyrimidinylthio)methyl]-4-pyrimido[1,2-a]benzimidazolone IUPAC Name: 1-(3-methylbutyl)-2-(pyrimidin-2-ylsulfanylmethyl)pyrimido[1,2-a]benzimidazol-4-one Traditional Name: 1-isoamyl-2-[(2-pyrimidylthio)methyl]pyrimido[1,2-a]benzimidazol-4-one Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CC(=O)N2C1=NC3=CC=CC=C32)CSC4=NC=CC=N4

Isomeric SMILES

CC(C)CCN1C(=CC(=O)N2C1=NC3=CC=CC=C32)CSC4=NC=CC=N4

InChI

InChI=1S/C20H21N5OS/c1-14(2)8-11-24-15(13-27-19-21-9-5-10-22-19)12-18(26)25-17-7-4-3-6-16(17)23-20(24)25/h3-7,9-10,12,14H,8,11,13H2,1-2H3