tert-butyl carbamate; N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-propoxy-quinazolin-4-amine

Systemtic Name: tert-butyl carbamate; N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-propoxy-quinazolin-4-amine Openeye Name: tert-butyl carbamate; N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-propoxy-quinazolin-4-amine CAS Name: carbamic acid tert-butyl ester; N-(4-chloro-2-fluorophenyl)-6-methoxy-7-propoxy-4-quinazolinamine IUPAC Name: tert-butyl carbamate; N-(4-chloro-2-fluorophenyl)-6-methoxy-7-propoxyquinazolin-4-amine Traditional Name: carbamic acid tert-butyl ester; (4-chloro-2-fluoro-phenyl)-(6-methoxy-7-propoxy-quinazolin-4-yl)amine Formula: C23H28ClFN4O4 MolecularWeight: 478.944223

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC.CC(C)(C)OC(=O)N

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC.CC(C)(C)OC(=O)N

InChI

InChI=1S/C18H17ClFN3O2.C5H11NO2/c1-3-6-25-17-9-15-12(8-16(17)24-2)18(22-10-21-15)23-14-5-4-11(19)7-13(14)20;1-5(2,3)8-4(6)7/h4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);1-3H3,(H2,6,7)