8-[2-(3-aminophenyl)ethyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(3-aminophenyl)ethyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(3-aminophenyl)ethyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[2-(3-aminophenyl)ethyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(3-aminophenyl)ethyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[2-(3-aminophenyl)ethyl]-1,3,7-trimethyl-xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCC3=CC(=CC=C3)N

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCC3=CC(=CC=C3)N

InChI

InChI=1S/C16H19N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-6,9H,7-8,17H2,1-3H3