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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)CO)N=C3C=CC(=O)C=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)CO)N=C3C=CC(=O)C=C3N)N

InChI

InChI=1S/C17H17N5O2/c18-13-8-12(24)6-7-14(13)20-16-15(10-23)21-22(17(16)19)9-11-4-2-1-3-5-11/h1-8,23H,9-10,18-19H2