methyl 4-[(3-ethynylphenyl)amino]quinazoline-6-carboxylate

Systemtic Name: methyl 4-[(3-ethynylphenyl)amino]quinazoline-6-carboxylate Openeye Name: methyl 4-(3-ethynylanilino)quinazoline-6-carboxylate CAS Name: 4-(3-ethynylanilino)-6-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-ethynylanilino)quinazoline-6-carboxylate Traditional Name: 4-(3-ethynylanilino)quinazoline-6-carboxylic acid methyl ester Formula: C18H13N3O2 MolecularWeight: 303.31472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C18H13N3O2/c1-3-12-5-4-6-14(9-12)21-17-15-10-13(18(22)23-2)7-8-16(15)19-11-20-17/h1,4-11H,2H3,(H,19,20,21)