4-[2,4-bis(azanyl)-5-methyl-phenyl]iminocyclohexa-2,5-dien-1-one hydrate

Systemtic Name: 4-[2,4-bis(azanyl)-5-methyl-phenyl]iminocyclohexa-2,5-dien-1-one hydrate Openeye Name: 4-(2,4-diamino-5-methyl-phenyl)iminocyclohexa-2,5-dien-1-one hydrate CAS Name: 4-(2,4-diamino-5-methylphenyl)imino-1-cyclohexa-2,5-dienone hydrate IUPAC Name: 4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one hydrate Traditional Name: 4-(2,4-diamino-5-methyl-phenyl)iminocyclohexa-2,5-dien-1-one hydrate Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N)N=C2C=CC(=O)C=C2.O

Isomeric SMILES

CC1=CC(=C(C=C1N)N)N=C2C=CC(=O)C=C2.O

InChI

InChI=1S/C13H13N3O.H2O/c1-8-6-13(12(15)7-11(8)14)16-9-2-4-10(17)5-3-9;/h2-7H,14-15H2,1H3;1H2