8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-5-10-27-17-18(23(2)21(29)24(3)19(17)28)22-20(27)26-13-11-25(12-14-26)15-6-8-16(30-4)9-7-15/h5-9H,1,10-14H2,2-4H3