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

Systemtic Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C26H22N6O3S MolecularWeight: 498.55628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N6O3S/c1-35-20-12-13-21-22(14-20)36-26(29-21)30-24-23(32(33)34)25(28-17-27-24)31(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,17H,15-16H2,1H3,(H,27,28,29,30)