3-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxo-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-[4-(4-ethylbenzoyl)piperazino]-3-keto-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C22H24N4O3S/c1-2-16-3-5-17(6-4-16)21(28)25-12-10-24(11-13-25)19(27)7-9-26-15-23-20-18(22(26)29)8-14-30-20/h3-6,8,14-15H,2,7,9-13H2,1H3