N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C30H31N5O2S MolecularWeight: 525.66444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7

InChI

InChI=1S/C30H31N5O2S/c1-18-23(13-19-6-3-2-4-7-19)27(36)33-29(31-18)35-26(14-24(34-35)25-8-5-9-38-25)32-28(37)30-15-20-10-21(16-30)12-22(11-20)17-30/h2-9,14,20-22H,10-13,15-17H2,1H3,(H,32,37)(H,31,33,36)