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

Systemtic Name: methyl 2-[[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C20H16N6O4S/c1-11-6-5-9-14-15(11)24-20(31-14)25-18-16(26(28)29)17(21-10-22-18)23-13-8-4-3-7-12(13)19(27)30-2/h3-10H,1-2H3,(H2,21,22,23,24,25)