8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl diethyl phosphate

Systemtic Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl diethyl phosphate Openeye Name: 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]octyl diethyl phosphate CAS Name: phosphoric acid 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl diethyl ester IUPAC Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl diethyl phosphate Traditional Name: phosphoric acid 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]octyl diethyl ester Formula: C19H32N5O4P MolecularWeight: 425.462241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OCCCCCCCCN=C(NC#N)NC1=CC=NC=C1

Isomeric SMILES

CCOP(=O)(OCC)OCCCCCCCCN=C(NC#N)NC1=CC=NC=C1

InChI

InChI=1S/C19H32N5O4P/c1-3-26-29(25,27-4-2)28-16-10-8-6-5-7-9-13-22-19(23-17-20)24-18-11-14-21-15-12-18/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,21,22,23,24)