N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-2-yl]methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-2-yl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-2-yl]methyl]thiazole-5-carboxamide CAS Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-2-quinazolinyl]methyl]-5-thiazolecarboxamide IUPAC Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: N-[[4-[(2-fluorobenzyl)amino]-8-methyl-quinazolin-2-yl]methyl]thiazole-5-carboxamide Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3F)CNC(=O)C4=CN=CS4

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3F)CNC(=O)C4=CN=CS4

InChI

InChI=1S/C21H18FN5OS/c1-13-5-4-7-15-19(13)26-18(11-25-21(28)17-10-23-12-29-17)27-20(15)24-9-14-6-2-3-8-16(14)22/h2-8,10,12H,9,11H2,1H3,(H,25,28)(H,24,26,27)