N-(1-adamantyl)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: N-(1-adamantyl)-2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-m-anisyl-acetamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4)N

InChI

InChI=1S/C25H32N4O2S/c1-16-6-22(26)28-24(27-16)32-15-23(30)29(14-17-4-3-5-21(10-17)31-2)25-11-18-7-19(12-25)9-20(8-18)13-25/h3-6,10,18-20H,7-9,11-15H2,1-2H3,(H2,26,27,28)