3,5-dimethyl-4-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-pyrimidinyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3,5-dimethyl-4-[2-[[(1S)-1-methylolpropyl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C15H20N4O3 MolecularWeight: 304.3443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC=CC(=N1)C2=C(NC(=C2C)C(=O)O)C

Isomeric SMILES

CC[C@@H](CO)NC1=NC=CC(=N1)C2=C(NC(=C2C)C(=O)O)C

InChI

InChI=1S/C15H20N4O3/c1-4-10(7-20)18-15-16-6-5-11(19-15)12-8(2)13(14(21)22)17-9(12)3/h5-6,10,17,20H,4,7H2,1-3H3,(H,21,22)(H,16,18,19)/t10-/m0/s1