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5-nitro-N6-phenethyl-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

5-nitro-N6-phenethyl-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name:5-nitro-N6-phenethyl-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine
Openeye Name:N4,N4-dibenzyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine
CAS Name:5-nitro-N6-phenethyl-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine
IUPAC Name:4-N,4-N-dibenzyl-5-nitro-6-N-phenethylpyrimidine-4,6-diamine
Traditional Name:dibenzyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine
Formula: C26H25N5O2
MolecularWeight: 439.509
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]


InChI

InChI=1S/C26H25N5O2/c32-31(33)24-25(27-17-16-21-10-4-1-5-11-21)28-20-29-26(24)30(18-22-12-6-2-7-13-22)19-23-14-8-3-9-15-23/h1-15,20H,16-19H2,(H,27,28,29)


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