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

Systemtic Name: 5-azanyl-4-[5-azanyl-3-(hydroxymethyl)-1-(phenylmethyl)pyrazol-4-yl]imino-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 5-amino-4-[5-amino-1-benzyl-3-(hydroxymethyl)pyrazol-4-yl]imino-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 5-amino-4-[[5-amino-3-(hydroxymethyl)-1-(phenylmethyl)-4-pyrazolyl]imino]-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 5-amino-4-[5-amino-1-benzyl-3-(hydroxymethyl)pyrazol-4-yl]imino-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 5-amino-4-(5-amino-1-benzyl-3-methylol-pyrazol-4-yl)imino-2-methyl-cyclohexa-2,5-dien-1-one Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2CO)CC3=CC=CC=C3)N)C(=CC1=O)N

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2CO)CC3=CC=CC=C3)N)C(=CC1=O)N

InChI

InChI=1S/C18H19N5O2/c1-11-7-14(13(19)8-16(11)25)21-17-15(10-24)22-23(18(17)20)9-12-5-3-2-4-6-12/h2-8,24H,9-10,19-20H2,1H3