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

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C21H20N6OS/c1-14-11-18(27-26-14)24-19(28)13-29-21-23-17-10-6-5-9-16(17)20(25-21)22-12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,23,25)(H2,24,26,27,28)