8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CC=C

InChI

InChI=1S/C18H20N6O3/c1-5-10-24-14-15(22(2)18(26)23(3)16(14)25)20-17(24)21-19-11-12-6-8-13(27-4)9-7-12/h5-9,11H,1,10H2,2-4H3,(H,20,21)/b19-11+