4-azanyl-2-[[5-(2-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[5-(2-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[5-(2-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[5-(2-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]pyrimidine-5-carbonitrile Formula: C18H11ClN6OS2 MolecularWeight: 426.90254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC=C(C(=N4)N)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC=C(C(=N4)N)C#N)Cl

InChI

InChI=1S/C18H11ClN6OS2/c19-12-4-2-1-3-10(12)11-7-27-17-14(11)16(26)23-13(24-17)8-28-18-22-6-9(5-20)15(21)25-18/h1-4,6-7H,8H2,(H2,21,22,25)(H,23,24,26)