N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide CAS Name: N-(1-adamantylmethyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzamide Traditional Name: N-(1-adamantylmethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzamide Formula: C26H29N3OS2 MolecularWeight: 463.65796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NCC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NCC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C26H29N3OS2/c1-15-16(2)31-24-22(15)25(29-14-28-24)32-21-6-4-3-5-20(21)23(30)27-13-26-10-17-7-18(11-26)9-19(8-17)12-26/h3-6,14,17-19H,7-13H2,1-2H3,(H,27,30)