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

Systemtic Name: 8-[(E)-2-cyclohexylethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-cyclohexylvinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-cyclohexylethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-cyclohexylethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-cyclohexylvinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C20H30N4O2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3CCCCC3)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3CCCCC3)C

InChI

InChI=1S/C20H30N4O2/c1-4-13-23-18-17(19(25)24(14-5-2)20(23)26)22(3)16(21-18)12-11-15-9-7-6-8-10-15/h11-12,15H,4-10,13-14H2,1-3H3/b12-11+