7-[4-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

Systemtic Name: 7-[4-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-7-[4-[(2-methylsulfonylethylamino)methyl]phenyl]quinazolin-4-amine CAS Name: 7-[4-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 7-[4-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [4-[4-(4-benzoxyanilino)quinazolin-7-yl]benzyl]-(2-mesylethyl)amine Formula: C31H30N4O3S MolecularWeight: 538.6599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H30N4O3S/c1-39(36,37)18-17-32-20-23-7-9-25(10-8-23)26-11-16-29-30(19-26)33-22-34-31(29)35-27-12-14-28(15-13-27)38-21-24-5-3-2-4-6-24/h2-16,19,22,32H,17-18,20-21H2,1H3,(H,33,34,35)