N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4,N4-bis(2-methoxyethyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-bis(2-methoxyethyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: bis(2-methoxyethyl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O4/c1-25-8-6-21(7-9-26-2)16-14(22(23)24)15(19-12-20-16)18-11-13-4-3-5-17-10-13/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19,20)