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

Systemtic Name: methyl 2-[methyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(C)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(C)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O4S/c1-12-7-6-10-15-16(12)24-21(32-15)25-18-17(27(29)30)19(23-11-22-18)26(2)14-9-5-4-8-13(14)20(28)31-3/h4-11H,1-3H3,(H,22,23,24,25)