1-(2-dimethylaminoethyl)-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 1-(2-dimethylaminoethyl)-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 1-(2-dimethylaminoethyl)-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 1-(2-dimethylaminoethyl)-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 1-(2-dimethylaminoethyl)-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 1-(2-dimethylaminoethyl)-7-p-anisyl-3-propyl-xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCN(C)C)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCN(C)C)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H27N5O3/c1-5-10-24-18-17(19(26)25(20(24)27)12-11-22(2)3)23(14-21-18)13-15-6-8-16(28-4)9-7-15/h6-9,14H,5,10-13H2,1-4H3