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

Systemtic Name: 3-azanyl-4-[5-azanyl-1-(2-hydroxyethyl)-3-(hydroxymethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-1-(2-hydroxyethyl)-3-(hydroxymethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-1-(2-hydroxyethyl)-3-(hydroxymethyl)-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-1-(2-hydroxyethyl)-3-(hydroxymethyl)pyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-[5-amino-1-(2-hydroxyethyl)-3-methylol-pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC2=C(N(N=C2CO)CCO)N)C(=CC1=O)N

Isomeric SMILES

C1=CC(=NC2=C(N(N=C2CO)CCO)N)C(=CC1=O)N

InChI

InChI=1S/C12H15N5O3/c13-8-5-7(20)1-2-9(8)15-11-10(6-19)16-17(3-4-18)12(11)14/h1-2,5,18-19H,3-4,6,13-14H2