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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2/c1-3-15(2)24-19-18(26(27)28)20(23-14-22-19)25(17-11-7-8-12-21-17)13-16-9-5-4-6-10-16/h4-12,14-15H,3,13H2,1-2H3,(H,22,23,24)