3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-sulfanyl-methyl]benzoic acid

Systemtic Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-sulfanyl-methyl]benzoic acid Openeye Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-sulfanyl-methyl]benzoic acid CAS Name: 3-[mercapto-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]benzoic acid IUPAC Name: 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-sulfanylmethyl]benzoic acid Traditional Name: 3-[mercapto-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)C(C3=CC=CC(=C3)C(=O)O)S

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)C(C3=CC=CC(=C3)C(=O)O)S

InChI

InChI=1S/C17H18N2O2S/c1-10-13-7-2-3-8-14(13)19-16(18-10)15(22)11-5-4-6-12(9-11)17(20)21/h4-6,9,15,22H,2-3,7-8H2,1H3,(H,20,21)