3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C17H16N6OS2 MolecularWeight: 384.47854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C17H16N6OS2/c18-7-10-9-21-17(23-15(10)20)25-6-5-14(24)22-16-12(8-19)11-3-1-2-4-13(11)26-16/h9H,1-6H2,(H,22,24)(H2,20,21,23)