1-[3-[(4-ethylphenyl)methyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(4-ethylphenyl)methyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(4-ethylphenyl)methyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-ethylphenyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(4-ethylphenyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(4-ethylbenzyl)-methyl-amino]propyl]-3,7-dimethyl-xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H27N5O2/c1-5-15-7-9-16(10-8-15)13-22(2)11-6-12-25-19(26)17-18(21-14-23(17)3)24(4)20(25)27/h7-10,14H,5-6,11-13H2,1-4H3