5-(2-chlorophenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2-chlorophenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-chlorophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H17ClN4O2S2 MolecularWeight: 444.95758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

InChI

InChI=1S/C20H17ClN4O2S2/c1-2-5-11-8-16(26)25-20(22-11)29-10-15-23-18(27)17-13(9-28-19(17)24-15)12-6-3-4-7-14(12)21/h3-4,6-9H,2,5,10H2,1H3,(H,22,25,26)(H,23,24,27)