N4-tert-butyl-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H18ClN5O2 MolecularWeight: 335.78872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClN5O2/c1-15(2,3)20-14-12(21(22)23)13(18-9-19-14)17-8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)