methyl (2S)-2-[6-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]-3-(4-chlorophenyl)propanoate

Systemtic Name: methyl (2S)-2-[6-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]-3-(4-chlorophenyl)propanoate Openeye Name: methyl (2S)-3-(4-chlorophenyl)-2-[6-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]propanoate CAS Name: (2S)-3-(4-chlorophenyl)-2-[6-[(6-chloro-3-pyridinyl)methyl-ethylamino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-chlorophenyl)-2-[6-[(6-chloropyridin-3-yl)methyl-ethylamino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]propanoate Traditional Name: (2S)-3-(4-chlorophenyl)-2-[6-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]propionic acid methyl ester Formula: C23H27Cl2N5O4 MolecularWeight: 508.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C(C=C1)Cl)C2=C(CN(CN2C)C(CC3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CN=C(C=C1)Cl)C2=C(CN(CN2C)[C@@H](CC3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27Cl2N5O4/c1-4-28(13-17-7-10-21(25)26-12-17)22-20(30(32)33)14-29(15-27(22)2)19(23(31)34-3)11-16-5-8-18(24)9-6-16/h5-10,12,19H,4,11,13-15H2,1-3H3/t19-/m0/s1