methyl 4-[2-[2,4-bis(azanyl)quinazolin-6-yl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[2,4-bis(azanyl)quinazolin-6-yl]ethynyl]benzoate Openeye Name: methyl 4-[2-(2,4-diaminoquinazolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,4-diamino-6-quinazolinyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,4-diaminoquinazolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,4-diaminoquinazolin-6-yl)ethynyl]benzoic acid methyl ester Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C18H14N4O2/c1-24-17(23)13-7-4-11(5-8-13)2-3-12-6-9-15-14(10-12)16(19)22-18(20)21-15/h4-10H,1H3,(H4,19,20,21,22)