N-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-3-oxidanyl-propanamide

Systemtic Name: N-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-3-oxidanyl-propanamide Openeye Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-3-hydroxy-propanamide CAS Name: N-[6-ethyl-4-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]-3-hydroxypropanamide IUPAC Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-3-hydroxypropanamide Traditional Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]-3-hydroxy-propionamide Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)NC(=O)CCO)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)NC(=O)CCO)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-24(35)12-17-34)32-13-15-33(16-14-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,34H,2,12-17H2,1H3,(H,29,30,31,35)