6-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-[1-(phenylmethyl)indazol-5-yl]quinazolin-4-amine

Systemtic Name: 6-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-[1-(phenylmethyl)indazol-5-yl]quinazolin-4-amine Openeye Name: N-(1-benzylindazol-5-yl)-6-[3-[(2-methylsulfonylethylamino)methyl]phenyl]quinazolin-4-amine CAS Name: 6-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-[1-(phenylmethyl)-5-indazolyl]-4-quinazolinamine IUPAC Name: N-(1-benzylindazol-5-yl)-6-[3-[(2-methylsulfonylethylamino)methyl]phenyl]quinazolin-4-amine Traditional Name: (1-benzylindazol-5-yl)-[6-[3-[(2-mesylethylamino)methyl]phenyl]quinazolin-4-yl]amine Formula: C32H30N6O2S MolecularWeight: 562.6846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

InChI

InChI=1S/C32H30N6O2S/c1-41(39,40)15-14-33-19-24-8-5-9-25(16-24)26-10-12-30-29(18-26)32(35-22-34-30)37-28-11-13-31-27(17-28)20-36-38(31)21-23-6-3-2-4-7-23/h2-13,16-18,20,22,33H,14-15,19,21H2,1H3,(H,34,35,37)