7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

Systemtic Name: 7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]quinazolin-4-amine CAS Name: 7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [3-[4-(4-benzoxyanilino)quinazolin-7-yl]benzyl]-(2-mesylethyl)amine Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=CC(=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=CC(=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)17-16-32-20-24-8-5-9-25(18-24)26-10-15-29-30(19-26)33-22-34-31(29)35-27-11-13-28(14-12-27)38-21-23-6-3-2-4-7-23/h2-15,18-19,22,32H,16-17,20-21H2,1H3,(H,33,34,35)