N6,N6-diethyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6,N6-diethyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6,N6-diethyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6,N6-diethyl-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N,6-N-diethyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(diethylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])N(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H22N6O2/c1-3-24(4-2)19-18(26(27)28)20(23-15-22-19)25(17-12-8-9-13-21-17)14-16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3