N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]pyrimidin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (4-mesylphenyl)-[5-nitro-6-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidino]pyrimidin-4-yl]amine Formula: C21H25N7O5S MolecularWeight: 487.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NOC(=N1)C2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O5S/c1-3-4-17-25-21(33-26-17)14-9-11-27(12-10-14)20-18(28(29)30)19(22-13-23-20)24-15-5-7-16(8-6-15)34(2,31)32/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,23,24)