2-(dimethylaminomethyl)-3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-(dimethylaminomethyl)-3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Openeye Name: 2-(dimethylaminomethyl)-3-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]quinazolin-4-one CAS Name: 2-(dimethylaminomethyl)-3-[[4-(3-nitrophenyl)-2-thiazolyl]methyl]-4-quinazolinone IUPAC Name: 2-(dimethylaminomethyl)-3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Traditional Name: 2-(dimethylaminomethyl)-3-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]quinazolin-4-one Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c1-24(2)11-19-22-17-9-4-3-8-16(17)21(27)25(19)12-20-23-18(13-30-20)14-6-5-7-15(10-14)26(28)29/h3-10,13H,11-12H2,1-2H3