4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylindolin-1-yl)pyrimidine-5-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxylic acid Traditional Name: 2-(2-methylindolin-1-yl)-4-(piperonylamino)pyrimidine-5-carboxylic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C3=NC=C(C(=N3)NCC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CC1CC2=CC=CC=C2N1C3=NC=C(C(=N3)NCC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C22H20N4O4/c1-13-8-15-4-2-3-5-17(15)26(13)22-24-11-16(21(27)28)20(25-22)23-10-14-6-7-18-19(9-14)30-12-29-18/h2-7,9,11,13H,8,10,12H2,1H3,(H,27,28)(H,23,24,25)