7,8-dimethoxy-4-oxidanylidene-N-(2-phenoxyethyl)-1H-pyrimido[4,5-b]quinoline-2-carboxamide

Systemtic Name: 7,8-dimethoxy-4-oxidanylidene-N-(2-phenoxyethyl)-1H-pyrimido[4,5-b]quinoline-2-carboxamide Openeye Name: 7,8-dimethoxy-4-oxo-N-(2-phenoxyethyl)-1H-pyrimido[4,5-b]quinoline-2-carboxamide CAS Name: 7,8-dimethoxy-4-oxo-N-(2-phenoxyethyl)-1H-pyrimido[4,5-b]quinoline-2-carboxamide IUPAC Name: 7,8-dimethoxy-4-oxo-N-(2-phenoxyethyl)-1H-pyrimido[4,5-b]quinoline-2-carboxamide Traditional Name: 4-keto-7,8-dimethoxy-N-(2-phenoxyethyl)-1H-pyrimido[4,5-b]quinoline-2-carboxamide Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=C(NC(=NC3=O)C(=O)NCCOC4=CC=CC=C4)N=C2C=C1OC

Isomeric SMILES

COC1=CC2=CC3=C(NC(=NC3=O)C(=O)NCCOC4=CC=CC=C4)N=C2C=C1OC

InChI

InChI=1S/C22H20N4O5/c1-29-17-11-13-10-15-19(24-16(13)12-18(17)30-2)25-20(26-21(15)27)22(28)23-8-9-31-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,28)(H,24,25,26,27)