1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)xanthine Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)CC4CC4)N(C=N3)CCOC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)CC4CC4)N(C=N3)CCOC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O4/c1-31-20-9-5-6-18(14-20)28-22-21(23(29)27(24(28)30)15-17-10-11-17)26(16-25-22)12-13-32-19-7-3-2-4-8-19/h2-9,14,16-17H,10-13,15H2,1H3