2-ethyl-6-[(phenylmethyl)amino]-5-sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 2-ethyl-6-[(phenylmethyl)amino]-5-sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-(benzylamino)-2-ethyl-5-sulfanyl-1H-pyrimidin-4-one CAS Name: 2-ethyl-5-mercapto-6-[(phenylmethyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(benzylamino)-2-ethyl-5-sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(benzylamino)-2-ethyl-5-mercapto-1H-pyrimidin-4-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C(=C(N1)NCC2=CC=CC=C2)S

Isomeric SMILES

CCC1=NC(=O)C(=C(N1)NCC2=CC=CC=C2)S

InChI

InChI=1S/C13H15N3OS/c1-2-10-15-12(11(18)13(17)16-10)14-8-9-6-4-3-5-7-9/h3-7,18H,2,8H2,1H3,(H2,14,15,16,17)