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

Systemtic Name: 6-azanyl-1-(2-methylpropyl)-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-isobutyl-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-(2-methylpropyl)-5-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-(2-methylpropyl)-5-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-isobutyl-5-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]pyrimidine-2,4-quinone Formula: C20H25N5O8S MolecularWeight: 495.5062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])N

InChI

InChI=1S/C20H25N5O8S/c1-12(2)10-24-18(21)17(19(27)22-20(24)28)15(26)11-33-16-6-5-13(9-14(16)25(29)30)34(31,32)23-7-3-4-8-23/h5-6,9,12H,3-4,7-8,10-11,21H2,1-2H3,(H,22,27,28)