8-chloranyl-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H18ClN5O3/c1-21-15-14(16(26)22(2)18(21)27)24(17(19)20-15)10-13(25)23-8-7-11-5-3-4-6-12(11)9-23/h3-6H,7-10H2,1-2H3