2-imidazol-1-yl-6-nitro-N-(oxan-4-ylmethyl)quinazolin-4-amine

Systemtic Name: 2-imidazol-1-yl-6-nitro-N-(oxan-4-ylmethyl)quinazolin-4-amine Openeye Name: 2-imidazol-1-yl-6-nitro-N-(tetrahydropyran-4-ylmethyl)quinazolin-4-amine CAS Name: 2-(1-imidazolyl)-6-nitro-N-(4-oxanylmethyl)-4-quinazolinamine IUPAC Name: 2-imidazol-1-yl-6-nitro-N-(oxan-4-ylmethyl)quinazolin-4-amine Traditional Name: (2-imidazol-1-yl-6-nitro-quinazolin-4-yl)-(tetrahydropyran-4-ylmethyl)amine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1COCCC1CNC2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C17H18N6O3/c24-23(25)13-1-2-15-14(9-13)16(19-10-12-3-7-26-8-4-12)21-17(20-15)22-6-5-18-11-22/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,19,20,21)