methyl (2S)-2-[6-[(6-chloranylpyridin-3-yl)methyl-ethyl-amino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]-3-(4-hydroxyphenyl)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-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[6-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[6-[(6-chloro-3-pyridinyl)methyl-ethylamino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[6-[(6-chloropyridin-3-yl)methyl-ethylamino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[6-[(6-chloro-3-pyridyl)methyl-ethyl-amino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C23H28ClN5O5 MolecularWeight: 489.95192

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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)O)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)O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H28ClN5O5/c1-4-27(13-17-7-10-21(24)25-12-17)22-20(29(32)33)14-28(15-26(22)2)19(23(31)34-3)11-16-5-8-18(30)9-6-16/h5-10,12,19,30H,4,11,13-15H2,1-3H3/t19-/m0/s1