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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3H-purine-2,6-dione Openeye Name: 1-allyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3H-purine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-3H-purine-2,6-dione Traditional Name: 1-allyl-7-p-anisyl-xanthine Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CC=C

InChI

InChI=1S/C16H16N4O3/c1-3-8-20-15(21)13-14(18-16(20)22)17-10-19(13)9-11-4-6-12(23-2)7-5-11/h3-7,10H,1,8-9H2,2H3,(H,18,22)