8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dichlorophenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dichlorophenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C20H22Cl2N4O2 MolecularWeight: 421.32028

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H22Cl2N4O2/c1-4-10-25-18-17(19(27)26(11-5-2)20(25)28)24(3)16(23-18)9-7-13-6-8-14(21)15(22)12-13/h6-9,12H,4-5,10-11H2,1-3H3/b9-7+