N6-(3-methoxypropyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C15H19N5O3/c1-23-9-5-8-16-14-13(20(21)22)15(19-11-18-14)17-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H2,16,17,18,19)