3-azanyl-4-[5-azanyl-3-(hydroxymethyl)-1-propan-2-yl-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one

Systemtic Name: 3-azanyl-4-[5-azanyl-3-(hydroxymethyl)-1-propan-2-yl-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-3-(hydroxymethyl)-1-isopropyl-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-3-(hydroxymethyl)-1-propan-2-yl-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-3-(hydroxymethyl)-1-propan-2-ylpyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-(5-amino-1-isopropyl-3-methylol-pyrazol-4-yl)imino-cyclohexa-2,5-dien-1-one Formula: C13H17N5O2 MolecularWeight: 275.30638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)CO)N=C2C=CC(=O)C=C2N)N

Isomeric SMILES

CC(C)N1C(=C(C(=N1)CO)N=C2C=CC(=O)C=C2N)N

InChI

InChI=1S/C13H17N5O2/c1-7(2)18-13(15)12(11(6-19)17-18)16-10-4-3-8(20)5-9(10)14/h3-5,7,19H,6,14-15H2,1-2H3