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

Systemtic Name: 3-(4-azanyl-6-phenethyl-thieno[2,3-d]pyrimidin-2-yl)benzenecarbonitrile Openeye Name: 3-(4-amino-6-phenethyl-thieno[2,3-d]pyrimidin-2-yl)benzonitrile CAS Name: 3-(4-amino-6-phenethyl-2-thieno[2,3-d]pyrimidinyl)benzonitrile IUPAC Name: 3-(4-amino-6-phenethylthieno[2,3-d]pyrimidin-2-yl)benzonitrile Traditional Name: 3-(4-amino-6-phenethyl-thieno[2,3-d]pyrimidin-2-yl)benzonitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C21H16N4S/c22-13-15-7-4-8-16(11-15)20-24-19(23)18-12-17(26-21(18)25-20)10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H2,23,24,25)