1-[4-[[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

InChI

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