N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine Traditional Name: (3-ethynylphenyl)-[6-(2-methoxyethoxy)-7-[2-(4-methylpiperazino)ethoxy]quinazolin-4-yl]amine Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC=CC(=C4)C#C)OCCOC

Isomeric SMILES

CN1CCN(CC1)CCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC=CC(=C4)C#C)OCCOC

InChI

InChI=1S/C26H31N5O3/c1-4-20-6-5-7-21(16-20)29-26-22-17-24(34-15-14-32-3)25(18-23(22)27-19-28-26)33-13-12-31-10-8-30(2)9-11-31/h1,5-7,16-19H,8-15H2,2-3H3,(H,27,28,29)