2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)N

InChI

InChI=1S/C19H22N4O3S/c1-12-9-16(20)23-18(21-12)27-11-17(24)22-13-5-6-14-15(10-13)26-19(25-14)7-3-2-4-8-19/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,22,24)(H2,20,21,23)