8-[(E)-2-(2-chloranyl-3,4-dimethoxy-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(2-chloranyl-3,4-dimethoxy-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(2-chloro-3,4-dimethoxy-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(2-chloro-3,4-dimethoxy-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C19H21ClN4O4 MolecularWeight: 404.84744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=C(C(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=C(C(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C19H21ClN4O4/c1-5-23-17-15(18(25)24(6-2)19(23)26)21-13(22-17)10-8-11-7-9-12(27-3)16(28-4)14(11)20/h7-10H,5-6H2,1-4H3,(H,21,22)/b10-8+