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

Systemtic Name: N6-butyl-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C14H18N6O2 MolecularWeight: 302.33172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CN=CC=C2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CN=CC=C2

InChI

InChI=1S/C14H18N6O2/c1-2-3-7-16-13-12(20(21)22)14(19-10-18-13)17-9-11-5-4-6-15-8-11/h4-6,8,10H,2-3,7,9H2,1H3,(H2,16,17,18,19)