7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-keto-4-[4-(2-methoxyphenyl)piperazino]butyl]-1,3-dimethyl-xanthine Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H28N6O4/c1-24-20-19(21(30)25(2)22(24)31)28(15-23-20)10-6-9-18(29)27-13-11-26(12-14-27)16-7-4-5-8-17(16)32-3/h4-5,7-8,15H,6,9-14H2,1-3H3