2-[4-methoxy-3-(phenoxymethyl)phenyl]-6-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-methoxy-3-(phenoxymethyl)phenyl]-6-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-2-[4-methoxy-3-(phenoxymethyl)phenyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-methoxy-3-(phenoxymethyl)phenyl]-6-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-2-[4-methoxy-3-(phenoxymethyl)phenyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-2-[4-methoxy-3-(phenoxymethyl)phenyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)N2)COC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)N2)COC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O3S/c1-31-24-13-12-19(15-20(24)17-32-21-10-6-3-7-11-21)25-28-26(30)23-16-22(33-27(23)29-25)14-18-8-4-2-5-9-18/h2-13,15-16H,14,17H2,1H3,(H,28,29,30)