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

Systemtic Name: 3-azanyl-4-[5-azanyl-1-tert-butyl-3-(hydroxymethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-1-tert-butyl-3-(hydroxymethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-1-tert-butyl-3-(hydroxymethyl)-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-1-tert-butyl-3-(hydroxymethyl)pyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-(5-amino-1-tert-butyl-3-methylol-pyrazol-4-yl)imino-cyclohexa-2,5-dien-1-one Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)CO)N=C2C=CC(=O)C=C2N)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)CO)N=C2C=CC(=O)C=C2N)N

InChI

InChI=1S/C14H19N5O2/c1-14(2,3)19-13(16)12(11(7-20)18-19)17-10-5-4-8(21)6-9(10)15/h4-6,20H,7,15-16H2,1-3H3