3-(2-methyl-4-phenoxy-phenyl)-6-(3-piperazin-1-ylprop-1-ynyl)-4H-quinazolin-4-amine

Systemtic Name: 3-(2-methyl-4-phenoxy-phenyl)-6-(3-piperazin-1-ylprop-1-ynyl)-4H-quinazolin-4-amine Openeye Name: 3-(2-methyl-4-phenoxy-phenyl)-6-(3-piperazin-1-ylprop-1-ynyl)-4H-quinazolin-4-amine CAS Name: 3-(2-methyl-4-phenoxyphenyl)-6-[3-(1-piperazinyl)prop-1-ynyl]-4H-quinazolin-4-amine IUPAC Name: 3-(2-methyl-4-phenoxyphenyl)-6-(3-piperazin-1-ylprop-1-ynyl)-4H-quinazolin-4-amine Traditional Name: [3-(2-methyl-4-phenoxy-phenyl)-6-(3-piperazinoprop-1-ynyl)-4H-quinazolin-4-yl]amine Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=CC=C2)N3C=NC4=C(C3N)C=C(C=C4)C#CCN5CCNCC5

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=CC=C2)N3C=NC4=C(C3N)C=C(C=C4)C#CCN5CCNCC5

InChI

InChI=1S/C28H29N5O/c1-21-18-24(34-23-7-3-2-4-8-23)10-12-27(21)33-20-31-26-11-9-22(19-25(26)28(33)29)6-5-15-32-16-13-30-14-17-32/h2-4,7-12,18-20,28,30H,13-17,29H2,1H3