1-adamantyl-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(5,6-dimethyl-2-phenethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(5,6-dimethyl-2-phenethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone Formula: C31H38N4OS MolecularWeight: 514.72462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC=CC=C7)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC=CC=C7)C

InChI

InChI=1S/C31H38N4OS/c1-20-21(2)37-29-27(20)28(32-26(33-29)9-8-22-6-4-3-5-7-22)34-10-12-35(13-11-34)30(36)31-17-23-14-24(18-31)16-25(15-23)19-31/h3-7,23-25H,8-19H2,1-2H3