2-[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3-methoxypropyl)-2-[2-oxo-2-(4-sec-butylphenyl)ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(4-butan-2-ylphenyl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(4-butan-2-ylphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-sec-butylphenyl)ethyl]thio]-3-(3-methoxypropyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C28H30N2O3S2 MolecularWeight: 506.6794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CCCOC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CCCOC

InChI

InChI=1S/C28H30N2O3S2/c1-4-19(2)20-11-13-21(14-12-20)24(31)18-34-28-29-26-23(27(32)30(28)15-8-16-33-3)17-25(35-26)22-9-6-5-7-10-22/h5-7,9-14,17,19H,4,8,15-16,18H2,1-3H3