3-[1-(1-adamantyl)pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[1-(1-adamantyl)pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[1-(1-adamantyl)pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[1-(1-adamantyl)-3-pyrazolyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[1-(1-adamantyl)pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[1-(1-adamantyl)pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)NC(=S)N(C2=O)C3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(S1)NC(=S)N(C2=O)C3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C20H22N4OS2/c1-11-4-15-17(27-11)21-19(26)24(18(15)25)16-2-3-23(22-16)20-8-12-5-13(9-20)7-14(6-12)10-20/h2-4,12-14H,5-10H2,1H3,(H,21,26)