N6-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-isopentyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-methylbutyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O2/c1-16(2)11-13-23-20-19(27(28)29)21(25-15-24-20)26(18-10-6-7-12-22-18)14-17-8-4-3-5-9-17/h3-10,12,15-16H,11,13-14H2,1-2H3,(H,23,24,25)