2-(3-azanyl-5-cyclohexyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-(3-azanyl-5-cyclohexyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-(3-amino-5-cyclohexyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(3-amino-5-cyclohexyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(3-amino-5-cyclohexyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(3-amino-5-cyclohexyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H19N5O/c18-15-13(14(21-22-15)10-6-2-1-3-7-10)16-19-12-9-5-4-8-11(12)17(23)20-16/h4-5,8-10H,1-3,6-7H2,(H3,18,21,22)(H,19,20,23)/p+1