2-[4-(cyclopropylamino)quinazolin-3-ium-2-yl]sulfanyl-N-methyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-3-ium-2-yl]sulfanyl-N-methyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-3-ium-2-yl]sulfanyl-N-isopropyl-N-methyl-acetamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolin-3-iumyl]thio]-N-methyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-3-ium-2-yl]sulfanyl-N-methyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-3-ium-2-yl]thio]-N-isopropyl-N-methyl-acetamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)CSC1=NC2=CC=CC=C2C(=[NH+]1)NC3CC3

Isomeric SMILES

CC(C)N(C)C(=O)CSC1=NC2=CC=CC=C2C(=[NH+]1)NC3CC3

InChI

InChI=1S/C17H22N4OS/c1-11(2)21(3)15(22)10-23-17-19-14-7-5-4-6-13(14)16(20-17)18-12-8-9-12/h4-7,11-12H,8-10H2,1-3H3,(H,18,19,20)/p+1