N-[[4-[ethyl-(phenylmethyl)amino]quinazolin-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide

Systemtic Name: N-[[4-[ethyl-(phenylmethyl)amino]quinazolin-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide Openeye Name: N-[[4-[benzyl(ethyl)amino]quinazolin-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide CAS Name: N-[[4-[ethyl-(phenylmethyl)amino]-2-quinazolinyl]methyl]-1,2,5-thiadiazole-3-carboxamide IUPAC Name: N-[[4-[benzyl(ethyl)amino]quinazolin-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide Traditional Name: N-[[4-[benzyl(ethyl)amino]quinazolin-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)CNC(=O)C4=NSN=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)CNC(=O)C4=NSN=C4

InChI

InChI=1S/C21H20N6OS/c1-2-27(14-15-8-4-3-5-9-15)20-16-10-6-7-11-17(16)24-19(25-20)13-22-21(28)18-12-23-29-26-18/h3-12H,2,13-14H2,1H3,(H,22,28)