N6-butyl-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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