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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N6O2S/c1-12(13-7-3-2-4-8-13)22-17-16(25(26)27)18(21-11-20-17)24-19-23-14-9-5-6-10-15(14)28-19/h2-12H,1H3,(H2,20,21,22,23,24)