N-(1H-indol-5-yl)-6-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]quinazolin-4-amine

Systemtic Name: N-(1H-indol-5-yl)-6-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]quinazolin-4-amine Openeye Name: 6-[3-[benzyl(methyl)amino]prop-1-ynyl]-N-(1H-indol-5-yl)quinazolin-4-amine CAS Name: N-(1H-indol-5-yl)-6-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-4-quinazolinamine IUPAC Name: 6-[3-[benzyl(methyl)amino]prop-1-ynyl]-N-(1H-indol-5-yl)quinazolin-4-amine Traditional Name: benzyl-[3-[4-(1H-indol-5-ylamino)quinazolin-6-yl]prop-2-ynyl]-methyl-amine Formula: C27H23N5 MolecularWeight: 417.50502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)NC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN(CC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N5/c1-32(18-21-6-3-2-4-7-21)15-5-8-20-9-11-26-24(16-20)27(30-19-29-26)31-23-10-12-25-22(17-23)13-14-28-25/h2-4,6-7,9-14,16-17,19,28H,15,18H2,1H3,(H,29,30,31)