3-[3-(4-chloranylphenoxy)propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(4-chloranylphenoxy)propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(4-chlorophenoxy)propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(4-chlorophenoxy)propyl]-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(4-chlorophenoxy)propyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(4-chlorophenoxy)propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CCCOC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CCCOC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H19ClN2O2S/c1-15-19(16-6-3-2-4-7-16)20-21(28-15)24-14-25(22(20)26)12-5-13-27-18-10-8-17(23)9-11-18/h2-4,6-11,14H,5,12-13H2,1H3