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

Systemtic Name: 1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-[(E)-3-phenylacryloyl]piperazino]-7H-purine-2,6-quinone Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3/c1-23-17-16(18(28)24(2)20(23)29)21-19(22-17)26-12-10-25(11-13-26)15(27)9-8-14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3,(H,21,22)/b9-8+