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

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzothiazol-2-yl)-N4,N4-dibenzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzothiazol-2-yl)-4-N,4-N-dibenzyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-dibenzyl-amine Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N6O2S/c32-31(33)22-23(29-25-28-20-13-7-8-14-21(20)34-25)26-17-27-24(22)30(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,26,27,28,29)