6-azanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidine-4-carboxylic acid

Systemtic Name: 6-azanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidine-4-carboxylic acid Openeye Name: 6-amino-2-(2-naphthylmethylsulfanyl)pyrimidine-4-carboxylic acid CAS Name: 6-amino-2-(2-naphthalenylmethylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 6-amino-2-(naphthalen-2-ylmethylsulfanyl)pyrimidine-4-carboxylic acid Traditional Name: 6-amino-2-(2-naphthylmethylthio)pyrimidine-4-carboxylic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSC3=NC(=CC(=N3)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSC3=NC(=CC(=N3)N)C(=O)O

InChI

InChI=1S/C16H13N3O2S/c17-14-8-13(15(20)21)18-16(19-14)22-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H,20,21)(H2,17,18,19)