1,3-dimethyl-8-[(phenethylamino)methyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(phenethylamino)methyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(phenethylamino)methyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(phenethylamino)methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(phenethylamino)methyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(phenethylamino)methyl]-7H-purine-2,6-quinone Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNCCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2/c1-20-14-13(15(22)21(2)16(20)23)18-12(19-14)10-17-9-8-11-6-4-3-5-7-11/h3-7,17H,8-10H2,1-2H3,(H,18,19)