4-azanyl-2-(2-azanyl-1-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-(2-azanyl-1-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-[2-amino-1-(1-naphthyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-[[2-amino-1-(1-naphthalenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-(2-amino-1-naphthalen-1-yl-2-oxoethyl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-[[2-amino-2-keto-1-(1-naphthyl)ethyl]thio]pyrimidine-5-carboxylic acid Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(C(=O)N)SC3=NC=C(C(=N3)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(C(=O)N)SC3=NC=C(C(=N3)N)C(=O)O

InChI

InChI=1S/C17H14N4O3S/c18-14-12(16(23)24)8-20-17(21-14)25-13(15(19)22)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13H,(H2,19,22)(H,23,24)(H2,18,20,21)