methyl (2E,4E)-6-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-oxidanylidene-hexa-2,4-dienoate

Systemtic Name: methyl (2E,4E)-6-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-oxidanylidene-hexa-2,4-dienoate Openeye Name: methyl (2E,4E)-6-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-oxo-hexa-2,4-dienoate CAS Name: (2E,4E)-6-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-6-oxohexa-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4E)-6-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-oxohexa-2,4-dienoate Traditional Name: (2E,4E)-6-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-6-keto-hexa-2,4-dienoic acid methyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C=CC=CC(=O)OC)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)/C=C/C=C/C(=O)OC)N)OC

InChI

InChI=1S/C21H25N5O5/c1-29-16-12-14-15(13-17(16)30-2)23-21(24-20(14)22)26-10-8-25(9-11-26)18(27)6-4-5-7-19(28)31-3/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)/b6-4+,7-5+