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

Systemtic Name: 6-methyl-2-oxidanylidene-4-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-[4-[3-(1-pyrrolo[2,3-b]pyridinyl)propoxy]phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCCCN3C=CC4=C3N=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCCCN3C=CC4=C3N=CC=C4)C(=O)O

InChI

InChI=1S/C22H22N4O4/c1-14-18(21(27)28)19(25-22(29)24-14)15-5-7-17(8-6-15)30-13-3-11-26-12-9-16-4-2-10-23-20(16)26/h2,4-10,12,19H,3,11,13H2,1H3,(H,27,28)(H2,24,25,29)