5-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C18H14N6S2 MolecularWeight: 378.47396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC(=C3C=CSC3=N2)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC(=C3C=CSC3=N2)N)C4=CC=CC=C4

InChI

InChI=1S/C18H14N6S2/c1-11-14(9-19)15(24(23-11)12-5-3-2-4-6-12)10-26-18-21-16(20)13-7-8-25-17(13)22-18/h2-8H,10H2,1H3,(H2,20,21,22)