3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O3S/c1-27-16-8-6-15(7-9-16)17-13-28-20-19(17)21(26)24(14-22-20)12-18(25)23-10-4-2-3-5-11-23/h6-9,13-14H,2-5,10-12H2,1H3