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

Systemtic Name: N6-butyl-N6-methyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-butyl-N6-methyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-N6-methyl-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-butyl-6-N-methyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-3-4-14-25(2)20-19(27(28)29)21(24-16-23-20)26(18-12-8-9-13-22-18)15-17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3