N-(3-ethynylphenyl)-7-methoxy-6-(oxan-4-yloxy)quinazolin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-7-methoxy-6-(oxan-4-yloxy)quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-7-methoxy-6-tetrahydropyran-4-yloxy-quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-7-methoxy-6-(4-oxanyloxy)-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-7-methoxy-6-(oxan-4-yloxy)quinazolin-4-amine Traditional Name: (3-ethynylphenyl)-(7-methoxy-6-tetrahydropyran-4-yloxy-quinazolin-4-yl)amine Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OC4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OC4CCOCC4

InChI

InChI=1S/C22H21N3O3/c1-3-15-5-4-6-16(11-15)25-22-18-12-21(28-17-7-9-27-10-8-17)20(26-2)13-19(18)23-14-24-22/h1,4-6,11-14,17H,7-10H2,2H3,(H,23,24,25)