N4-(1-adamantyl)-6-nitro-N2-prop-2-enyl-quinazoline-2,4-diamine

Systemtic Name: N4-(1-adamantyl)-6-nitro-N2-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N4-(1-adamantyl)-N2-allyl-6-nitro-quinazoline-2,4-diamine CAS Name: N4-(1-adamantyl)-6-nitro-N2-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 4-N-(1-adamantyl)-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: 1-adamantyl-[2-(allylamino)-6-nitro-quinazolin-4-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N5O2/c1-2-5-22-20-23-18-4-3-16(26(27)28)9-17(18)19(24-20)25-21-10-13-6-14(11-21)8-15(7-13)12-21/h2-4,9,13-15H,1,5-8,10-12H2,(H2,22,23,24,25)