1,6-dimethyl-5-[(E)-(phenylmethylidene)amino]-3aH-pyrazolo[3,4-d]pyrimidin-1-ium-4-one

Systemtic Name: 1,6-dimethyl-5-[(E)-(phenylmethylidene)amino]-3aH-pyrazolo[3,4-d]pyrimidin-1-ium-4-one Openeye Name: 5-[(E)-benzylideneamino]-1,6-dimethyl-3aH-pyrazolo[3,4-d]pyrimidin-1-ium-4-one CAS Name: 1,6-dimethyl-5-[(E)-(phenylmethylene)amino]-3aH-pyrazolo[3,4-d]pyrimidin-1-ium-4-one IUPAC Name: 5-[(E)-benzylideneamino]-1,6-dimethyl-3aH-pyrazolo[3,4-d]pyrimidin-1-ium-4-one Traditional Name: 5-[(E)-benzalamino]-1,6-dimethyl-3aH-pyrazolo[3,4-d]pyrimidin-1-ium-4-one Formula: C14H14N5O+ MolecularWeight: 268.29386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](N=CC2C(=O)N1N=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC2=[N+](N=CC2C(=O)N1/N=C/C3=CC=CC=C3)C

InChI

InChI=1S/C14H14N5O/c1-10-17-13-12(9-15-18(13)2)14(20)19(10)16-8-11-6-4-3-5-7-11/h3-9,12H,1-2H3/q+1/b16-8+