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

Systemtic Name: 5-nitro-N6-(phenylmethyl)-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(phenylmethyl)-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C14H17N5O2/c1-10(2)18-14-12(19(20)21)13(16-9-17-14)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17,18)