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

Systemtic Name: 3-azanyl-4-[5-azanyl-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-3-(hydroxymethyl)-1-phenyl-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-3-(hydroxymethyl)-1-phenylpyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-(5-amino-3-methylol-1-phenyl-pyrazol-4-yl)imino-cyclohexa-2,5-dien-1-one Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CO)N=C3C=CC(=O)C=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CO)N=C3C=CC(=O)C=C3N)N

InChI

InChI=1S/C16H15N5O2/c17-12-8-11(23)6-7-13(12)19-15-14(9-22)20-21(16(15)18)10-4-2-1-3-5-10/h1-8,22H,9,17-18H2