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

Systemtic Name: 3-[(4-butan-2-ylphenyl)amino]-6-chloranyl-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Openeye Name: 6-chloro-N-pyrimidin-5-yl-3-(4-sec-butylanilino)-1,2-benzoxazole-7-carboxamide CAS Name: 3-(4-butan-2-ylanilino)-6-chloro-N-(5-pyrimidinyl)-1,2-benzoxazole-7-carboxamide IUPAC Name: 3-(4-butan-2-ylanilino)-6-chloro-N-pyrimidin-5-yl-1,2-benzoxazole-7-carboxamide Traditional Name: 6-chloro-N-(5-pyrimidyl)-3-(4-sec-butylanilino)indoxazene-7-carboxamide Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O2/c1-3-13(2)14-4-6-15(7-5-14)26-21-17-8-9-18(23)19(20(17)30-28-21)22(29)27-16-10-24-12-25-11-16/h4-13H,3H2,1-2H3,(H,26,28)(H,27,29)