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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(N2)C(=O)N(C(=O)N3CC)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3CC)CC

InChI

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