N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-11-3-8-14-15(9-11)29-19(22-14)23-17-16(24(25)26)18(21-10-20-17)28-13-6-4-12(27-2)5-7-13/h3-10H,1-2H3,(H,20,21,22,23)