1,3-dimethyl-7-(quinolin-8-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(quinolin-8-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(8-quinolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(8-quinolinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(quinolin-8-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(8-quinolylmethyl)xanthine Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C17H15N5O2/c1-20-15-14(16(23)21(2)17(20)24)22(10-19-15)9-12-6-3-5-11-7-4-8-18-13(11)12/h3-8,10H,9H2,1-2H3