3-(2,3,4,5,6-pentatritiopiperidin-4-yl)-1,4-dihydroquinazolin-2-one

Systemtic Name: 3-(2,3,4,5,6-pentatritiopiperidin-4-yl)-1,4-dihydroquinazolin-2-one Openeye Name: 3-(2,3,4,5,6-pentatritio-4-piperidyl)-1,4-dihydroquinazolin-2-one CAS Name: 3-(2,3,4,5,6-pentatritio-4-piperidinyl)-1,4-dihydroquinazolin-2-one IUPAC Name: 3-(2,3,4,5,6-pentatritiopiperidin-4-yl)-1,4-dihydroquinazolin-2-one Traditional Name: 3-(2,3,4,5,6-pentatritio-4-piperidyl)-1,4-dihydroquinazolin-2-one Formula: C13H17N3O MolecularWeight: 241.334126

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CC3=CC=CC=C3NC2=O

Isomeric SMILES

[3H]C1C(NC(C(C1([3H])N2CC3=CC=CC=C3NC2=O)[3H])[3H])[3H]

InChI

InChI=1S/C13H17N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2,(H,15,17)/i5T,6T,7T,8T,11T