2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carbonitrile Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C17H20N4OS/c18-7-13-8-20-16(21-15(13)19)23-9-14(22)17-4-10-1-11(5-17)3-12(2-10)6-17/h8,10-12H,1-6,9H2,(H2,19,20,21)