8-chloranyl-1,3-bis(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(4-pyridylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O2/c20-18-22-16-15(23(18)9-14-5-7-21-8-6-14)17(26)25(11-13-3-4-13)19(27)24(16)10-12-1-2-12/h5-8,12-13H,1-4,9-11H2