2-azanyl-N-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinazoline-4-carboxamide

Systemtic Name: 2-azanyl-N-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinazoline-4-carboxamide Openeye Name: 2-amino-N-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinazoline-4-carboxamide CAS Name: 2-amino-N-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-quinazolinecarboxamide IUPAC Name: 2-amino-N-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinazoline-4-carboxamide Traditional Name: 2-amino-N-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]quinazoline-4-carboxamide Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)CN2C=NC=N2)C(=O)C3=NC(=NC4=CC=CC=C43)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)CN2C=NC=N2)C(=O)C3=NC(=NC4=CC=CC=C43)N

InChI

InChI=1S/C20H19N7O/c1-26(10-14-6-8-15(9-7-14)11-27-13-22-12-23-27)19(28)18-16-4-2-3-5-17(16)24-20(21)25-18/h2-9,12-13H,10-11H2,1H3,(H2,21,24,25)