N-(3-bromophenyl)-6,7-dibutoxy-quinazolin-4-amine

Systemtic Name: N-(3-bromophenyl)-6,7-dibutoxy-quinazolin-4-amine Openeye Name: N-(3-bromophenyl)-6,7-dibutoxy-quinazolin-4-amine CAS Name: N-(3-bromophenyl)-6,7-dibutoxy-4-quinazolinamine IUPAC Name: N-(3-bromophenyl)-6,7-dibutoxyquinazolin-4-amine Traditional Name: (3-bromophenyl)-(6,7-dibutoxyquinazolin-4-yl)amine Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCCCC

InChI

InChI=1S/C22H26BrN3O2/c1-3-5-10-27-20-13-18-19(14-21(20)28-11-6-4-2)24-15-25-22(18)26-17-9-7-8-16(23)12-17/h7-9,12-15H,3-6,10-11H2,1-2H3,(H,24,25,26)