1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(4-phenylpiperazino)xanthine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H26N6O2/c1-15(2)14-27-17-18(23(3)21(29)24(4)19(17)28)22-20(27)26-12-10-25(11-13-26)16-8-6-5-7-9-16/h5-9H,1,10-14H2,2-4H3