ethyl 3-[4-azanylidene-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 3-[4-azanylidene-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 3-[4-imino-6-methoxy-7-(3-morpholinopropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[4-imino-6-methoxy-7-[3-(4-morpholinyl)propoxy]-3-quinazolinyl]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[4-imino-6-methoxy-7-(3-morpholinopropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C21H27N7O5 MolecularWeight: 457.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NN1)N2C=NC3=CC(=C(C=C3C2=N)OC)OCCCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=NC(=NN1)N2C=NC3=CC(=C(C=C3C2=N)OC)OCCCN4CCOCC4

InChI

InChI=1S/C21H27N7O5/c1-3-32-20(29)19-24-21(26-25-19)28-13-23-15-12-17(16(30-2)11-14(15)18(28)22)33-8-4-5-27-6-9-31-10-7-27/h11-13,22H,3-10H2,1-2H3,(H,24,25,26)