2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=NNC(=C3)C

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=NNC(=C3)C

InChI

InChI=1S/C18H22N6OS/c1-3-4-9-19-17-13-7-5-6-8-14(13)20-18(22-17)26-11-16(25)21-15-10-12(2)23-24-15/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20,22)(H2,21,23,24,25)