1,3-dimethyl-8-piperazin-1-yl-7-[2-[(E)-prop-1-enyl]phenyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-piperazin-1-yl-7-[2-[(E)-prop-1-enyl]phenyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-piperazin-1-yl-7-[2-[(E)-prop-1-enyl]phenyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperazinyl)-7-[2-[(E)-prop-1-enyl]phenyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperazin-1-yl-7-[2-[(E)-prop-1-enyl]phenyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperazino-7-[2-[(E)-prop-1-enyl]phenyl]xanthine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

C/C=C/C1=CC=CC=C1N2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H24N6O2/c1-4-7-14-8-5-6-9-15(14)26-16-17(23(2)20(28)24(3)18(16)27)22-19(26)25-12-10-21-11-13-25/h4-9,21H,10-13H2,1-3H3/b7-4+