methyl 2-[[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[(4,5-dimethyl-2-thiazolyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O4S/c1-10-11(2)29-18(21-10)22-15-14(24(26)27)16(20-9-19-15)23(3)13-8-6-5-7-12(13)17(25)28-4/h5-9H,1-4H3,(H,19,20,21,22)