N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(1-adamantylmethyl)-3-(4,6-dimethyl-2-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1)C)CCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NC(=S)N1)C)CCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29N3OS/c1-12-17(13(2)23-19(25)22-12)3-4-18(24)21-11-20-8-14-5-15(9-20)7-16(6-14)10-20/h14-16H,3-11H2,1-2H3,(H,21,24)(H,22,23,25)