7-(2-ethoxyethyl)-3-methyl-8-[4-[(Z)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-[(Z)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]purine-2,6-dione Openeye Name: 8-[4-[(Z)-cinnamyl]piperazin-4-ium-1-yl]-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-[(Z)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-[(Z)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]purine-2,6-dione Traditional Name: 8-[4-[(Z)-cinnamyl]piperazin-4-ium-1-yl]-7-(2-ethoxyethyl)-3-methyl-xanthine Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3CC[NH+](CC3)CC=CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3CC[NH+](CC3)C/C=C\C4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H30N6O3/c1-3-32-17-16-29-19-20(26(2)23(31)25-21(19)30)24-22(29)28-14-12-27(13-15-28)11-7-10-18-8-5-4-6-9-18/h4-10H,3,11-17H2,1-2H3,(H,25,30,31)/p+1/b10-7-