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

Systemtic Name: 6-(aminomethyl)-N-(3-ethynylphenyl)-7-methoxy-quinazolin-4-amine Openeye Name: 6-(aminomethyl)-N-(3-ethynylphenyl)-7-methoxy-quinazolin-4-amine CAS Name: 6-(aminomethyl)-N-(3-ethynylphenyl)-7-methoxy-4-quinazolinamine IUPAC Name: 6-(aminomethyl)-N-(3-ethynylphenyl)-7-methoxyquinazolin-4-amine Traditional Name: [6-(aminomethyl)-7-methoxy-quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C18H16N4O MolecularWeight: 304.34584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O/c1-3-12-5-4-6-14(7-12)22-18-15-8-13(10-19)17(23-2)9-16(15)20-11-21-18/h1,4-9,11H,10,19H2,2H3,(H,20,21,22)