8-chloranyl-1,3-bis(cyclopropylmethyl)-7-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(cyclopropylmethyl)-7-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(3-pyridylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(3-pyridylmethyl)xanthine Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)Cl)CC5=CN=CC=C5

Isomeric SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)Cl)CC5=CN=CC=C5

InChI

InChI=1S/C19H20ClN5O2/c20-18-22-16-15(23(18)11-14-2-1-7-21-8-14)17(26)25(10-13-5-6-13)19(27)24(16)9-12-3-4-12/h1-2,7-8,12-13H,3-6,9-11H2