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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=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/c1-13(2)18-25-21(33-26-18)14-8-10-27(11-9-14)20-17(28(29)30)19(22-12-23-20)24-15-4-6-16(7-5-15)34(3,31)32/h4-7,12-14H,8-11H2,1-3H3,(H,22,23,24)