9-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]nonyl diethyl phosphate

Systemtic Name: 9-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]nonyl diethyl phosphate Openeye Name: 9-[[(cyanoamino)-(4-pyridylamino)methylene]amino]nonyl diethyl phosphate CAS Name: phosphoric acid 9-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]nonyl diethyl ester IUPAC Name: 9-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]nonyl diethyl phosphate Traditional Name: phosphoric acid 9-[[(cyanoamino)-(4-pyridylamino)methylene]amino]nonyl diethyl ester Formula: C20H34N5O4P MolecularWeight: 439.488821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N5O4P/c1-3-27-30(26,28-4-2)29-17-11-9-7-5-6-8-10-14-23-20(24-18-21)25-19-12-15-22-16-13-19/h12-13,15-16H,3-11,14,17H2,1-2H3,(H2,22,23,24,25)