7-butyl-8-(4-prop-2-enoxyphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-(4-prop-2-enoxyphenyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(4-allyloxyphenyl)-7-butyl-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-(4-prop-2-enoxyphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-(4-prop-2-enoxyphenyl)-3-propylpurine-2,6-dione Traditional Name: 8-(4-allyloxyphenyl)-7-butyl-3-propyl-xanthine Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(C=C3)OCC=C)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(C=C3)OCC=C)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C21H26N4O3/c1-4-7-13-24-17-19(25(12-5-2)21(27)23-20(17)26)22-18(24)15-8-10-16(11-9-15)28-14-6-3/h6,8-11H,3-5,7,12-14H2,1-2H3,(H,23,26,27)