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

Systemtic Name: 5-azanyl-4-[5-azanyl-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]imino-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 5-amino-4-[5-amino-3-(hydroxymethyl)-1-phenyl-pyrazol-4-yl]imino-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 5-amino-4-[[5-amino-3-(hydroxymethyl)-1-phenyl-4-pyrazolyl]imino]-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 5-amino-4-[5-amino-3-(hydroxymethyl)-1-phenylpyrazol-4-yl]imino-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 5-amino-4-(5-amino-3-methylol-1-phenyl-pyrazol-4-yl)imino-2-methyl-cyclohexa-2,5-dien-1-one Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2CO)C3=CC=CC=C3)N)C(=CC1=O)N

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2CO)C3=CC=CC=C3)N)C(=CC1=O)N

InChI

InChI=1S/C17H17N5O2/c1-10-7-13(12(18)8-15(10)24)20-16-14(9-23)21-22(17(16)19)11-5-3-2-4-6-11/h2-8,23H,9,18-19H2,1H3