N4-(1,3-benzothiazol-2-yl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H13ClN6O2S MolecularWeight: 412.85282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H13ClN6O2S/c19-12-6-2-1-5-11(12)9-20-16-15(25(26)27)17(22-10-21-16)24-18-23-13-7-3-4-8-14(13)28-18/h1-8,10H,9H2,(H2,20,21,22,23,24)