6-azanyl-1-phenethyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-azanyl-1-phenethyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-amino-1-phenethyl-2-thioxo-pyrimidin-4-one CAS Name: 6-amino-1-phenethyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-amino-1-phenethyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-amino-1-phenethyl-2-thioxo-pyrimidin-4-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=S)N

InChI

InChI=1S/C12H13N3OS/c13-10-8-11(16)14-12(17)15(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,16,17)