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

Systemtic Name: N-(4-ethylsulfanylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-ethylsulfanylphenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[4-(ethylthio)phenyl]-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(4-ethylsulfanylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: [4-(ethylthio)phenyl]-[6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H27N7O3S MolecularWeight: 469.55988

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=NC(=NO4)C(C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=NC(=NO4)C(C)C

InChI

InChI=1S/C22H27N7O3S/c1-4-33-17-7-5-16(6-8-17)25-20-18(29(30)31)21(24-13-23-20)28-11-9-15(10-12-28)22-26-19(14(2)3)27-32-22/h5-8,13-15H,4,9-12H2,1-3H3,(H,23,24,25)