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

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H18N6O2S MolecularWeight: 454.50372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N6O2S/c31-30(32)21-22(28-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17)25-15-26-23(21)29-24-27-18-13-7-8-14-19(18)33-24/h1-15,20H,(H2,25,26,27,28,29)