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

Systemtic Name: 4-[(6,7,8-trimethoxy-2-propan-2-yl-quinazolin-4-yl)amino]butan-1-ol nitrate Openeye Name: 4-[(2-isopropyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]butan-1-ol nitrate CAS Name: 4-[(6,7,8-trimethoxy-2-propan-2-yl-4-quinazolinyl)amino]-1-butanol nitrate IUPAC Name: 4-[(6,7,8-trimethoxy-2-propan-2-ylquinazolin-4-yl)amino]butan-1-ol nitrate Traditional Name: 4-[(2-isopropyl-6,7,8-trimethoxy-quinazolin-4-yl)amino]butan-1-ol nitrate Formula: C18H27N4O7- MolecularWeight: 411.42958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4.NO3/c1-11(2)17-20-14-12(18(21-17)19-8-6-7-9-22)10-13(23-3)15(24-4)16(14)25-5;2-1(3)4/h10-11,22H,6-9H2,1-5H3,(H,19,20,21);/q;-1