5-nitro-N6-propyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-propyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-propyl-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-propyl-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(propylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CN=CC=C2

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CN=CC=C2

InChI

InChI=1S/C13H16N6O2/c1-2-5-15-12-11(19(20)21)13(18-9-17-12)16-8-10-4-3-6-14-7-10/h3-4,6-7,9H,2,5,8H2,1H3,(H2,15,16,17,18)