5-[(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]pentan-1-ol nitrate

Systemtic Name: 5-[(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]pentan-1-ol nitrate Openeye Name: 5-[(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]pentan-1-ol nitrate CAS Name: 5-[(2-ethyl-6,7,8-trimethoxy-4-quinazolinyl)amino]-1-pentanol nitrate IUPAC Name: 5-[(2-ethyl-6,7,8-trimethoxyquinazolin-4-yl)amino]pentan-1-ol nitrate Traditional Name: 5-[(2-ethyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]pentan-1-ol nitrate Formula: C18H27N4O7- MolecularWeight: 411.42958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4.NO3/c1-5-14-20-15-12(18(21-14)19-9-7-6-8-10-22)11-13(23-2)16(24-3)17(15)25-4;2-1(3)4/h11,22H,5-10H2,1-4H3,(H,19,20,21);/q;-1