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

Systemtic Name: 4-[5-azanyl-1-(2-hydroxyethyl)-3-(hydroxymethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-amino-1-(2-hydroxyethyl)-3-(hydroxymethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-amino-1-(2-hydroxyethyl)-3-(hydroxymethyl)-4-pyrazolyl]imino]-5-(2-hydroxyethylamino)-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-amino-1-(2-hydroxyethyl)-3-(hydroxymethyl)pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-[5-amino-1-(2-hydroxyethyl)-3-methylol-pyrazol-4-yl]imino-5-(2-hydroxyethylamino)-2-methyl-cyclohexa-2,5-dien-1-one Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4/c1-9-6-11(10(7-13(9)24)17-2-4-21)18-14-12(8-23)19-20(3-5-22)15(14)16/h6-7,17,21-23H,2-5,8,16H2,1H3