6-azanylidene-1,7-dimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]purin-2-one

Systemtic Name: 6-azanylidene-1,7-dimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]purin-2-one Openeye Name: 6-imino-1,7-dimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]purin-2-one CAS Name: 6-imino-1,7-dimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]-2-purinone IUPAC Name: 6-imino-1,7-dimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]purin-2-one Traditional Name: 6-imino-1,7-dimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]purin-2-one Formula: C12H15N5O MolecularWeight: 245.2804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=CN1C2=C(C(=N)N(C1=O)C)N(C=N2)C

Isomeric SMILES

CC(=C)/C=C/N1C2=C(C(=N)N(C1=O)C)N(C=N2)C

InChI

InChI=1S/C12H15N5O/c1-8(2)5-6-17-11-9(15(3)7-14-11)10(13)16(4)12(17)18/h5-7,13H,1H2,2-4H3/b6-5+,13-10?