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

Systemtic Name: 6-[(2-methylsulfonylethylamino)methyl]-N-[1-(phenylmethyl)indazol-5-yl]quinazolin-4-amine Openeye Name: N-(1-benzylindazol-5-yl)-6-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine CAS Name: 6-[(2-methylsulfonylethylamino)methyl]-N-[1-(phenylmethyl)-5-indazolyl]-4-quinazolinamine IUPAC Name: N-(1-benzylindazol-5-yl)-6-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine Traditional Name: (1-benzylindazol-5-yl)-[6-[(2-mesylethylamino)methyl]quinazolin-4-yl]amine Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O2S/c1-35(33,34)12-11-27-15-20-7-9-24-23(13-20)26(29-18-28-24)31-22-8-10-25-21(14-22)16-30-32(25)17-19-5-3-2-4-6-19/h2-10,13-14,16,18,27H,11-12,15,17H2,1H3,(H,28,29,31)