6-[(6,7,8-trimethoxy-2-propan-2-yl-quinazolin-4-yl)amino]hexan-1-ol nitrate

Systemtic Name: 6-[(6,7,8-trimethoxy-2-propan-2-yl-quinazolin-4-yl)amino]hexan-1-ol nitrate Openeye Name: 6-[(2-isopropyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]hexan-1-ol nitrate CAS Name: 6-[(6,7,8-trimethoxy-2-propan-2-yl-4-quinazolinyl)amino]-1-hexanol nitrate IUPAC Name: 6-[(6,7,8-trimethoxy-2-propan-2-ylquinazolin-4-yl)amino]hexan-1-ol nitrate Traditional Name: 6-[(2-isopropyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]hexan-1-ol nitrate Formula: C20H31N4O7- MolecularWeight: 439.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=C(C=C2C(=N1)NCCCCCCO)OC)OC)OC.[N+](=O)([O-])[O-]

Isomeric SMILES

CC(C)C1=NC2=C(C(=C(C=C2C(=N1)NCCCCCCO)OC)OC)OC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C20H31N3O4.NO3/c1-13(2)19-22-16-14(12-15(25-3)17(26-4)18(16)27-5)20(23-19)21-10-8-6-7-9-11-24;2-1(3)4/h12-13,24H,6-11H2,1-5H3,(H,21,22,23);/q;-1