N6-butan-2-yl-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butan-2-yl-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-5-nitro-N6-sec-butyl-pyrimidine-4,6-diamine CAS Name: N6-butan-2-yl-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-butan-2-yl-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-3-15(2)24-20-19(26(27)28)21(23-14-22-20)25-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,18H,3H2,1-2H3,(H2,22,23,24,25)