2-(1,3-benzoxazol-2-ylamino)-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylamino)-6-[[(4-chlorophenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1,3-benzoxazol-2-ylamino)-6-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-6-[[(4-chlorophenyl)thio]methyl]-1H-pyrimidin-4-one Formula: C18H13ClN4O2S MolecularWeight: 384.83942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN4O2S/c19-11-5-7-13(8-6-11)26-10-12-9-16(24)22-17(20-12)23-18-21-14-3-1-2-4-15(14)25-18/h1-9H,10H2,(H2,20,21,22,23,24)