N-(1-ethylpiperidin-3-yl)-6-iodanyl-2-(4-methylphenyl)quinazolin-4-amine

Systemtic Name: N-(1-ethylpiperidin-3-yl)-6-iodanyl-2-(4-methylphenyl)quinazolin-4-amine Openeye Name: N-(1-ethyl-3-piperidyl)-6-iodo-2-(p-tolyl)quinazolin-4-amine CAS Name: N-(1-ethyl-3-piperidinyl)-6-iodo-2-(4-methylphenyl)-4-quinazolinamine IUPAC Name: N-(1-ethylpiperidin-3-yl)-6-iodo-2-(4-methylphenyl)quinazolin-4-amine Traditional Name: (1-ethyl-3-piperidyl)-[6-iodo-2-(p-tolyl)quinazolin-4-yl]amine Formula: C22H25IN4 MolecularWeight: 472.36517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)NC2=NC(=NC3=C2C=C(C=C3)I)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCCC(C1)NC2=NC(=NC3=C2C=C(C=C3)I)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H25IN4/c1-3-27-12-4-5-18(14-27)24-22-19-13-17(23)10-11-20(19)25-21(26-22)16-8-6-15(2)7-9-16/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,24,25,26)