3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(isopropylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3,5-dimethyl-4-[2-(propan-2-ylamino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(isopropylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=NC(=NC=C2)NC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C2=NC(=NC=C2)NC(C)C)C)C(=O)O

InChI

InChI=1S/C14H18N4O2/c1-7(2)16-14-15-6-5-10(18-14)11-8(3)12(13(19)20)17-9(11)4/h5-7,17H,1-4H3,(H,19,20)(H,15,16,18)