2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4-(phenethylamino)pyridine-3-carbonitrile hydrate dihydrochloride

Systemtic Name: 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4-(phenethylamino)pyridine-3-carbonitrile hydrate dihydrochloride Openeye Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-4-(phenethylamino)pyridine-3-carbonitrile hydrate dihydrochloride CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(phenethylamino)-3-pyridinecarbonitrile hydrate dihydrochloride IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(phenethylamino)pyridine-3-carbonitrile hydrate dihydrochloride Traditional Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-4-(phenethylamino)nicotinonitrile hydrate dihydrochloride Formula: C20H30Cl2N4O3 MolecularWeight: 445.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=NC=CC(=C1C#N)NCCC2=CC=CC=C2)O.O.Cl.Cl

Isomeric SMILES

CC(C)NCC(COC1=NC=CC(=C1C#N)NCCC2=CC=CC=C2)O.O.Cl.Cl

InChI

InChI=1S/C20H26N4O2.2ClH.H2O/c1-15(2)24-13-17(25)14-26-20-18(12-21)19(9-11-23-20)22-10-8-16-6-4-3-5-7-16;;;/h3-7,9,11,15,17,24-25H,8,10,13-14H2,1-2H3,(H,22,23);2*1H;1H2