6-azanyl-5-[(R)-phenyl-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(R)-phenyl-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[(R)-(4-benzylsulfonylpiperazin-1-ium-1-yl)-phenyl-methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-amino-5-[(R)-phenyl-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[(R)-(4-benzylsulfonylpiperazin-1-ium-1-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-amino-5-[(R)-(4-benzylsulfonylpiperazin-1-ium-1-yl)-phenyl-methyl]uracil Formula: C22H26N5O4S+ MolecularWeight: 456.53794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=C(NC(=O)NC3=O)N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C3=C(NC(=O)NC3=O)N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O4S/c23-20-18(21(28)25-22(29)24-20)19(17-9-5-2-6-10-17)26-11-13-27(14-12-26)32(30,31)15-16-7-3-1-4-8-16/h1-10,19H,11-15H2,(H4,23,24,25,28,29)/p+1/t19-/m1/s1