N4-[(4-methoxyphenyl)methyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methoxyphenyl)methyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(4-methoxyphenyl)methyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-methoxyphenyl)methyl]-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methoxyphenyl)methyl]-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4/c1-24-9-3-8-17-15-14(21(22)23)16(20-11-19-15)18-10-12-4-6-13(25-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,17,18,19,20)