2-[3-bromanyl-4-[6-(heptan-4-ylamino)-2-methyl-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-phenyl]propan-2-ol

Systemtic Name: 2-[3-bromanyl-4-[6-(heptan-4-ylamino)-2-methyl-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-phenyl]propan-2-ol Openeye Name: 2-[3-bromo-5-methoxy-4-[2-methyl-5-nitro-6-(1-propylbutylamino)pyrimidin-4-yl]oxy-phenyl]propan-2-ol CAS Name: 2-[3-bromo-4-[[6-(heptan-4-ylamino)-2-methyl-5-nitro-4-pyrimidinyl]oxy]-5-methoxyphenyl]-2-propanol IUPAC Name: 2-[3-bromo-4-[6-(heptan-4-ylamino)-2-methyl-5-nitropyrimidin-4-yl]oxy-5-methoxyphenyl]propan-2-ol Traditional Name: 2-[3-bromo-5-methoxy-4-[2-methyl-5-nitro-6-(1-propylbutylamino)pyrimidin-4-yl]oxy-phenyl]propan-2-ol Formula: C22H31BrN4O5 MolecularWeight: 511.40934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=C(C(=NC(=N1)C)OC2=C(C=C(C=C2Br)C(C)(C)O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)NC1=C(C(=NC(=N1)C)OC2=C(C=C(C=C2Br)C(C)(C)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H31BrN4O5/c1-7-9-15(10-8-2)26-20-18(27(29)30)21(25-13(3)24-20)32-19-16(23)11-14(22(4,5)28)12-17(19)31-6/h11-12,15,28H,7-10H2,1-6H3,(H,24,25,26)