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

Systemtic Name: N4-[(4-methoxyphenyl)methyl]-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-methoxyphenyl)methyl]-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methoxyphenyl)methyl]-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H23N5O3/c1-12(2)8-9-18-16-15(22(23)24)17(21-11-20-16)19-10-13-4-6-14(25-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H2,18,19,20,21)