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

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4/c32-31(33)24-25(29-21-11-12-22-23(15-21)35-14-13-34-22)27-18-28-26(24)30(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-12,15,18H,13-14,16-17H2,(H,27,28,29)