N-cyclopropyl-5-nitro-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-5-nitro-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-pyrimidin-4-amine Openeye Name: N-cyclopropyl-5-nitro-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]pyrimidin-4-amine CAS Name: N-cyclopropyl-5-nitro-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-4-pyrimidinamine IUPAC Name: N-cyclopropyl-5-nitro-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-[(5-piperidinosulfonyl-2-pyridyl)thio]pyrimidin-4-yl]amine Formula: C17H20N6O4S2 MolecularWeight: 436.5085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4S2/c24-23(25)14-11-19-17(21-16(14)20-12-4-5-12)28-15-7-6-13(10-18-15)29(26,27)22-8-2-1-3-9-22/h6-7,10-12H,1-5,8-9H2,(H,19,20,21)