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

Systemtic Name: 6-[3-(methylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[3-(methylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[3-(methylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[3-(methylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: methyl-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]amine Formula: C25H22N4O MolecularWeight: 394.46838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC)OC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O/c1-18-15-20(11-13-24(18)30-21-8-4-3-5-9-21)29-25-22-16-19(7-6-14-26-2)10-12-23(22)27-17-28-25/h3-5,8-13,15-17,26H,14H2,1-2H3,(H,27,28,29)