N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[2-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-oxo-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[(6-amino-5-nitro-4-pyrimidinyl)hydrazo]-2-oxoethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[N'-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-keto-ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C17H20N8O6S MolecularWeight: 464.4557

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NNC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NNC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C17H20N8O6S/c18-15-14(25(28)29)16(21-10-20-15)23-22-13(26)9-19-17(27)11-3-5-12(6-4-11)32(30,31)24-7-1-2-8-24/h3-6,10H,1-2,7-9H2,(H,19,27)(H,22,26)(H3,18,20,21,23)