2-[[ethyl-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[ethyl-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[(2-isopropylsulfanylbenzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[[2-(propan-2-ylthio)-1-benzimidazolyl]methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[[2-(isopropylthio)benzimidazol-1-yl]methyl]amino]methyl]-1H-quinazolin-4-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SC(C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=CC=CC=C4N=C3SC(C)C

InChI

InChI=1S/C22H25N5OS/c1-4-26(13-20-23-17-10-6-5-9-16(17)21(28)25-20)14-27-19-12-8-7-11-18(19)24-22(27)29-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,25,28)