N-[[4-(aminocarbonylamino)phenyl]methyl]-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-[(4-ureidophenyl)methyl]butanamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)-N-(4-ureidobenzyl)butyramide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCC3=CC=C(C=C3)NC(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCC3=CC=C(C=C3)NC(=O)N)OC

InChI

InChI=1S/C22H25N5O5/c1-31-18-10-16-17(11-19(18)32-2)25-13-27(21(16)29)9-3-4-20(28)24-12-14-5-7-15(8-6-14)26-22(23)30/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,24,28)(H3,23,26,30)