8-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazin-1-iumylidene]-3-methyl-7-[3-(2-pyrimidinylthio)propyl]-5H-purine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-3-methyl-7-[3-(2-pyrimidylthio)propyl]-5H-purine-2,6-quinone Formula: C24H29N8O3S+ MolecularWeight: 509.60386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+]3CCN(CC3)C4=CC=C(C=C4)OC)N(C2C(=O)NC1=O)CCCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=NC(=[N+]3CCN(CC3)C4=CC=C(C=C4)OC)N(C2C(=O)NC1=O)CCCSC5=NC=CC=N5

InChI

InChI=1S/C24H28N8O3S/c1-29-20-19(21(33)28-24(29)34)32(11-4-16-36-22-25-9-3-10-26-22)23(27-20)31-14-12-30(13-15-31)17-5-7-18(35-2)8-6-17/h3,5-10,19H,4,11-16H2,1-2H3/p+1