8-chloranyl-7-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C18H22ClN5O3/c1-6-7-23-10(2)8-12(11(23)3)13(25)9-24-14-15(20-17(24)19)21(4)18(27)22(5)16(14)26/h8H,6-7,9H2,1-5H3