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

Systemtic Name: 1,3-dimethyl-7-[3-[methyl(phenyl)amino]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(N-methylanilino)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(N-methylanilino)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(N-methylanilino)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(N-methylanilino)propyl]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)CCCN(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2/c1-19(13-8-5-4-6-9-13)10-7-11-22-12-18-15-14(22)16(23)21(3)17(24)20(15)2/h4-6,8-9,12H,7,10-11H2,1-3H3