1-(1-adamantylmethyl)-6-nitro-4-thiophen-2-yl-quinazolin-2-one

Systemtic Name: 1-(1-adamantylmethyl)-6-nitro-4-thiophen-2-yl-quinazolin-2-one Openeye Name: 1-(1-adamantylmethyl)-6-nitro-4-(2-thienyl)quinazolin-2-one CAS Name: 1-(1-adamantylmethyl)-6-nitro-4-thiophen-2-yl-2-quinazolinone IUPAC Name: 1-(1-adamantylmethyl)-6-nitro-4-thiophen-2-ylquinazolin-2-one Traditional Name: 1-(1-adamantylmethyl)-6-nitro-4-(2-thienyl)quinazolin-2-one Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C(=NC4=O)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C(=NC4=O)C6=CC=CS6

InChI

InChI=1S/C23H23N3O3S/c27-22-24-21(20-2-1-5-30-20)18-9-17(26(28)29)3-4-19(18)25(22)13-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,9,14-16H,6-8,10-13H2