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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1-(2-oxidanylidenepropyl)-3-propyl-purine-2,6-dione Openeye Name: 1-acetonyl-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1-(2-oxopropyl)-3-propylpurine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1-(2-oxopropyl)-3-propylpurine-2,6-dione Traditional Name: 1-acetonyl-7-p-anisyl-3-propyl-xanthine Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-4-9-22-17-16(18(25)23(19(22)26)10-13(2)24)21(12-20-17)11-14-5-7-15(27-3)8-6-14/h5-8,12H,4,9-11H2,1-3H3