6-chloranyl-3-[(4-propan-2-ylphenyl)amino]-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide

Systemtic Name: 6-chloranyl-3-[(4-propan-2-ylphenyl)amino]-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Openeye Name: 6-chloro-3-(4-isopropylanilino)-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide CAS Name: 6-chloro-3-(4-propan-2-ylanilino)-N-(5-pyrimidinyl)-1,2-benzoxazole-7-carboxamide IUPAC Name: 6-chloro-3-(4-propan-2-ylanilino)-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Traditional Name: 6-chloro-3-cumidino-N-(5-pyrimidyl)indoxazene-7-carboxamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-12(2)13-3-5-14(6-4-13)25-20-16-7-8-17(22)18(19(16)29-27-20)21(28)26-15-9-23-11-24-10-15/h3-12H,1-2H3,(H,25,27)(H,26,28)