9-[2-(dimethylaminomethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[2-(dimethylaminomethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-(dimethylaminomethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-(dimethylaminomethyl)-4-quinazolinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-(dimethylaminomethyl)quinazolin-4-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(dimethylaminomethyl)quinazolin-4-yl]-1,3-dimethyl-xanthine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC(=NC4=CC=CC=C43)CN(C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC(=NC4=CC=CC=C43)CN(C)C

InChI

InChI=1S/C18H19N7O2/c1-22(2)9-13-20-12-8-6-5-7-11(12)15(21-13)25-10-19-14-16(25)23(3)18(27)24(4)17(14)26/h5-8,10H,9H2,1-4H3