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

Systemtic Name: methyl 4-[(E)-2-[2,4-bis(azanyl)quinazolin-6-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(2,4-diaminoquinazolin-6-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(2,4-diamino-6-quinazolinyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(2,4-diaminoquinazolin-6-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(2,4-diaminoquinazolin-6-yl)vinyl]benzoic acid methyl ester Formula: C18H16N4O2 MolecularWeight: 320.34524

Click to see the large picture

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=C/C2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C18H16N4O2/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/h2-10H,1H3,(H4,19,20,21,22)/b3-2+