8-(2-dimethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C21H30N6O4/c1-5-14-6-8-16(9-7-14)31-13-15(28)12-27-17-18(26(4)21(30)24-19(17)29)23-20(27)22-10-11-25(2)3/h6-9,15,28H,5,10-13H2,1-4H3,(H,22,23)(H,24,29,30)