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

Systemtic Name: N-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H17N5O3S MolecularWeight: 407.44568

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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)C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3S/c1-11-4-7-15-16(8-11)29-20(23-15)24-18-17(25(26)27)19(22-10-21-18)28-14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,21,22,23,24)