1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purine-2,6-dione Openeye Name: 8-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purine-2,6-dione Traditional Name: 8-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2/c1-23-17-16(18(27)24(2)20(23)28)21-19(22-17)26-13-11-25(12-14-26)10-6-9-15-7-4-3-5-8-15/h3-9H,10-14H2,1-2H3,(H,21,22)/p+1/b9-6+