2-[4-(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)piperazin-1-yl]ethanol nitrate

Systemtic Name: 2-[4-(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)piperazin-1-yl]ethanol nitrate Openeye Name: 2-[4-(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)piperazin-1-yl]ethanol nitrate CAS Name: 2-[4-(2-ethyl-6,7,8-trimethoxy-4-quinazolinyl)-1-piperazinyl]ethanol nitrate IUPAC Name: 2-[4-(2-ethyl-6,7,8-trimethoxyquinazolin-4-yl)piperazin-1-yl]ethanol nitrate Traditional Name: 2-[4-(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)piperazino]ethanol nitrate Formula: C19H28N5O7- MolecularWeight: 438.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)CCO)OC)OC)OC.[N+](=O)([O-])[O-]

Isomeric SMILES

CCC1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)CCO)OC)OC)OC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C19H28N4O4.NO3/c1-5-15-20-16-13(12-14(25-2)17(26-3)18(16)27-4)19(21-15)23-8-6-22(7-9-23)10-11-24;2-1(3)4/h12,24H,5-11H2,1-4H3;/q;-1