4-azanyl-2-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-(2-amino-1-benzyl-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-[(1-amino-1-oxo-3-phenylpropan-2-yl)thio]-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-(1-amino-1-oxo-3-phenylpropan-2-yl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-[(2-amino-1-benzyl-2-keto-ethyl)thio]pyrimidine-5-carboxylic acid Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)SC2=NC=C(C(=N2)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N)SC2=NC=C(C(=N2)N)C(=O)O

InChI

InChI=1S/C14H14N4O3S/c15-11-9(13(20)21)7-17-14(18-11)22-10(12(16)19)6-8-4-2-1-3-5-8/h1-5,7,10H,6H2,(H2,16,19)(H,20,21)(H2,15,17,18)