8-chloranyl-1,3-bis(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-[(2,3-dimethoxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-o-veratryl-xanthine Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4CC4)CC5CC5

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4CC4)CC5CC5

InChI

InChI=1S/C22H25ClN4O4/c1-30-16-5-3-4-15(18(16)31-2)12-25-17-19(24-21(25)23)26(10-13-6-7-13)22(29)27(20(17)28)11-14-8-9-14/h3-5,13-14H,6-12H2,1-2H3