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

Systemtic Name: 6-[1-methyl-5-[(2-methylsulfonylethylamino)methyl]pyrrol-2-yl]-N-[1-(phenylmethyl)indazol-5-yl]quinazolin-4-amine Openeye Name: N-(1-benzylindazol-5-yl)-6-[1-methyl-5-[(2-methylsulfonylethylamino)methyl]pyrrol-2-yl]quinazolin-4-amine CAS Name: 6-[1-methyl-5-[(2-methylsulfonylethylamino)methyl]-2-pyrrolyl]-N-[1-(phenylmethyl)-5-indazolyl]-4-quinazolinamine IUPAC Name: N-(1-benzylindazol-5-yl)-6-[1-methyl-5-[(2-methylsulfonylethylamino)methyl]pyrrol-2-yl]quinazolin-4-amine Traditional Name: (1-benzylindazol-5-yl)-[6-[5-[(2-mesylethylamino)methyl]-1-methyl-pyrrol-2-yl]quinazolin-4-yl]amine Formula: C31H31N7O2S MolecularWeight: 565.68854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6)CNCCS(=O)(=O)C

Isomeric SMILES

CN1C(=CC=C1C2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6)CNCCS(=O)(=O)C

InChI

InChI=1S/C31H31N7O2S/c1-37-26(19-32-14-15-41(2,39)40)10-13-29(37)23-8-11-28-27(17-23)31(34-21-33-28)36-25-9-12-30-24(16-25)18-35-38(30)20-22-6-4-3-5-7-22/h3-13,16-18,21,32H,14-15,19-20H2,1-2H3,(H,33,34,36)