8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2/c1-19-13-12(14(22)20(2)16(19)23)17-15(18-13)21-8-7-10-5-3-4-6-11(10)9-21/h3-6H,7-9H2,1-2H3,(H,17,18)