8-chloranyl-1,3-bis(cyclopropylmethyl)-7-[(3,4-dimethoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(cyclopropylmethyl)-7-[(3,4-dimethoxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-[(3,4-dimethoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-[(3,4-dimethoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-[(3,4-dimethoxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-veratryl-xanthine Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4CC4)CC5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4CC4)CC5CC5)OC

InChI

InChI=1S/C22H25ClN4O4/c1-30-16-8-7-15(9-17(16)31-2)12-25-18-19(24-21(25)23)26(10-13-3-4-13)22(29)27(20(18)28)11-14-5-6-14/h7-9,13-14H,3-6,10-12H2,1-2H3