4-[3-methoxy-4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[3-methoxy-4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[3-methoxy-4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[3-methoxy-4-[2-(1-pyrrolo[2,3-b]pyridinyl)ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[3-methoxy-4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[3-methoxy-4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCCN3C=CC4=C3N=CC=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCCN3C=CC4=C3N=CC=C4)OC)C(=O)O

InChI

InChI=1S/C22H22N4O5/c1-13-18(21(27)28)19(25-22(29)24-13)15-5-6-16(17(12-15)30-2)31-11-10-26-9-7-14-4-3-8-23-20(14)26/h3-9,12,19H,10-11H2,1-2H3,(H,27,28)(H2,24,25,29)