N2-(2-diethylaminoethyl)-5-pyridin-4-yl-pyridine-2,3-diamine hydrate

Systemtic Name: N2-(2-diethylaminoethyl)-5-pyridin-4-yl-pyridine-2,3-diamine hydrate Openeye Name: N2-(2-diethylaminoethyl)-5-(4-pyridyl)pyridine-2,3-diamine hydrate CAS Name: N2-(2-diethylaminoethyl)-5-pyridin-4-ylpyridine-2,3-diamine hydrate IUPAC Name: 2-N-(2-diethylaminoethyl)-5-pyridin-4-ylpyridine-2,3-diamine hydrate Traditional Name: 2-[[3-amino-5-(4-pyridyl)-2-pyridyl]amino]ethyl-diethyl-amine hydrate Formula: C16H25N5O MolecularWeight: 303.4026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C=N1)C2=CC=NC=C2)N.O

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C=N1)C2=CC=NC=C2)N.O

InChI

InChI=1S/C16H23N5.H2O/c1-3-21(4-2)10-9-19-16-15(17)11-14(12-20-16)13-5-7-18-8-6-13;/h5-8,11-12H,3-4,9-10,17H2,1-2H3,(H,19,20);1H2