5-nitro-N4-(phenylmethyl)-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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