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

Systemtic Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-21-17-16(18(26)22(2)19(21)27)24(12-20-17)10-8-15(25)23-9-7-13-5-3-4-6-14(13)11-23/h3-6,12H,7-11H2,1-2H3