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

Systemtic Name: 3-azanyl-4-[5-azanyl-3-(hydroxymethyl)-1-methyl-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-3-(hydroxymethyl)-1-methyl-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-3-(hydroxymethyl)-1-methyl-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-3-(hydroxymethyl)-1-methylpyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-(5-amino-1-methyl-3-methylol-pyrazol-4-yl)imino-cyclohexa-2,5-dien-1-one Formula: C11H13N5O2 MolecularWeight: 247.25322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)CO)N=C2C=CC(=O)C=C2N)N

Isomeric SMILES

CN1C(=C(C(=N1)CO)N=C2C=CC(=O)C=C2N)N

InChI

InChI=1S/C11H13N5O2/c1-16-11(13)10(9(5-17)15-16)14-8-3-2-6(18)4-7(8)12/h2-4,17H,5,12-13H2,1H3