3-[4-azanyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-(2-pyrazinylmethyl)-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C18H12N6S MolecularWeight: 344.39308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)CC4=NC=CN=C4)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)CC4=NC=CN=C4)N)C#N

InChI

InChI=1S/C18H12N6S/c19-9-11-2-1-3-12(6-11)17-23-16(20)15-8-14(25-18(15)24-17)7-13-10-21-4-5-22-13/h1-6,8,10H,7H2,(H2,20,23,24)