7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3-propyl-purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3-propyl-purine-2,6-dione Openeye Name: 1-allyl-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3-propylpurine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3-propylpurine-2,6-dione Traditional Name: 1-allyl-7-p-anisyl-3-propyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-4-10-22-17-16(18(24)23(11-5-2)19(22)25)21(13-20-17)12-14-6-8-15(26-3)9-7-14/h5-9,13H,2,4,10-12H2,1,3H3