N'-(4-nitrophenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine hydrochloride

Systemtic Name: N'-(4-nitrophenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine hydrochloride Openeye Name: N'-(4-nitrophenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine hydrochloride CAS Name: N'-(4-nitrophenyl)-N-[[3-(2-pyrimidinyloxy)phenyl]methyl]ethane-1,2-diamine hydrochloride IUPAC Name: N'-(4-nitrophenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine hydrochloride Traditional Name: 2-(4-nitroanilino)ethyl-[3-(2-pyrimidyloxy)benzyl]amine hydrochloride Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC=CC=N2)CNCCNC3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC=CC=N2)CNCCNC3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H19N5O3.ClH/c25-24(26)17-7-5-16(6-8-17)21-12-11-20-14-15-3-1-4-18(13-15)27-19-22-9-2-10-23-19;/h1-10,13,20-21H,11-12,14H2;1H