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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H19N5O3/c1-20-11-19-16-15(20)17(25)23(18(26)21(16)2)10-14(24)22-8-7-12-5-3-4-6-13(12)9-22/h3-6,11H,7-10H2,1-2H3