N-(3-methoxy-4-phenoxy-phenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine

Systemtic Name: N-(3-methoxy-4-phenoxy-phenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine Openeye Name: N-(3-methoxy-4-phenoxy-phenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine CAS Name: N-(3-methoxy-4-phenoxyphenyl)-6-[3-(methylamino)prop-1-ynyl]-4-quinazolinamine IUPAC Name: N-(3-methoxy-4-phenoxyphenyl)-6-[3-(methylamino)prop-1-ynyl]quinazolin-4-amine Traditional Name: 3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl-methyl-amine Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CNCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

CNCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C25H22N4O2/c1-26-14-6-7-18-10-12-22-21(15-18)25(28-17-27-22)29-19-11-13-23(24(16-19)30-2)31-20-8-4-3-5-9-20/h3-5,8-13,15-17,26H,14H2,1-2H3,(H,27,28,29)