4-azanyl-N-[3-(butylcarbamoyl)-2,6-bis(chloranyl)-5-methoxy-phenyl]quinazoline-8-carboxamide

Systemtic Name: 4-azanyl-N-[3-(butylcarbamoyl)-2,6-bis(chloranyl)-5-methoxy-phenyl]quinazoline-8-carboxamide Openeye Name: 4-amino-N-[3-(butylcarbamoyl)-2,6-dichloro-5-methoxy-phenyl]quinazoline-8-carboxamide CAS Name: 4-amino-N-[3-[butylamino(oxo)methyl]-2,6-dichloro-5-methoxyphenyl]-8-quinazolinecarboxamide IUPAC Name: 4-amino-N-[3-(butylcarbamoyl)-2,6-dichloro-5-methoxyphenyl]quinazoline-8-carboxamide Traditional Name: 4-amino-N-[3-(butylcarbamoyl)-2,6-dichloro-5-methoxy-phenyl]quinazoline-8-carboxamide Formula: C21H21Cl2N5O3 MolecularWeight: 462.32914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C(=C1Cl)NC(=O)C2=CC=CC3=C2N=CN=C3N)Cl)OC

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C(=C1Cl)NC(=O)C2=CC=CC3=C2N=CN=C3N)Cl)OC

InChI

InChI=1S/C21H21Cl2N5O3/c1-3-4-8-25-20(29)13-9-14(31-2)16(23)18(15(13)22)28-21(30)12-7-5-6-11-17(12)26-10-27-19(11)24/h5-7,9-10H,3-4,8H2,1-2H3,(H,25,29)(H,28,30)(H2,24,26,27)