6-azanyl-1,3-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]pyrimidine-2,4-quinone Formula: C18H21N5O8S MolecularWeight: 467.45304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])N

InChI

InChI=1S/C18H21N5O8S/c1-20-16(19)15(17(25)21(2)18(20)26)13(24)10-31-14-6-5-11(9-12(14)23(27)28)32(29,30)22-7-3-4-8-22/h5-6,9H,3-4,7-8,10,19H2,1-2H3