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

Systemtic Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)vinyl]purine-2,6-dione CAS Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)vinyl]xanthine Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3CC)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3CC)CC

InChI

InChI=1S/C21H26N4O3/c1-5-14-28-16-11-8-15(9-12-16)10-13-17-22-19-18(23(17)4)20(26)25(7-3)21(27)24(19)6-2/h8-13H,5-7,14H2,1-4H3/b13-10+