1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]purine-2,6-dione Openeye Name: 7-[3-(benzylamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]purine-2,6-dione IUPAC Name: 7-[3-(benzylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(benzylamino)propyl]-1,3-dimethyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)10-6-9-18-11-13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3