(2S)-2-(3-methyl-4-methylidene-quinazolin-2-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide

Systemtic Name: (2S)-2-(3-methyl-4-methylidene-quinazolin-2-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Openeye Name: (2S)-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-(3-methyl-4-methylene-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-2-[(3-methyl-4-methylene-2-quinazolinyl)thio]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide IUPAC Name: (2S)-2-(3-methyl-4-methylidenequinazolin-2-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Traditional Name: (2S)-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-[(3-methyl-4-methylene-quinazolin-2-yl)thio]propionamide Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C)N2C

Isomeric SMILES

C[C@@H](C(=O)NC1=[N+](NC=C1)C(C)C)SC2=NC3=CC=CC=C3C(=C)N2C

InChI

InChI=1S/C19H23N5OS/c1-12(2)24-17(10-11-20-24)22-18(25)14(4)26-19-21-16-9-7-6-8-15(16)13(3)23(19)5/h6-12,14H,3H2,1-2,4-5H3,(H,20,22,25)/p+1/t14-/m0/s1