N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N6O2S/c26-25(27)16-17(20-11-10-13-6-2-1-3-7-13)21-12-22-18(16)24-19-23-14-8-4-5-9-15(14)28-19/h1-9,12H,10-11H2,(H2,20,21,22,23,24)