3-cyclopropyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 3-cyclopropyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3-cyclopropyl-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)NC(=O)N3C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3C4CC4

InChI

InChI=1S/C16H16N4O3/c1-23-12-6-2-10(3-7-12)8-19-9-17-14-13(19)15(21)18-16(22)20(14)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,18,21,22)