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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

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