N-ethylethanamine; 7-ethyl-8-(4-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: N-ethylethanamine; 7-ethyl-8-(4-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: N-ethylethanamine; 7-ethyl-8-(4-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione CAS Name: N-ethylethanamine; 7-ethyl-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: N-ethylethanamine; 7-ethyl-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione Traditional Name: diethylamine; 7-ethyl-8-(4-methoxyphenyl)-1,3-dimethyl-xanthine Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCNCC.CCN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H18N4O3.C4H11N/c1-5-20-12-14(18(2)16(22)19(3)15(12)21)17-13(20)10-6-8-11(23-4)9-7-10;1-3-5-4-2/h6-9H,5H2,1-4H3;5H,3-4H2,1-2H3