5-azanyl-1-heptyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-1-heptyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-1-heptyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-1-heptyl-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-1-heptyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-1-heptyl-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H28N4OS2 MolecularWeight: 416.60322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2C(=C(N=C1SC)C3=CC=CC=C3)C(=C(S2)C(=O)N)N

Isomeric SMILES

CCCCCCCN1C2C(=C(N=C1SC)C3=CC=CC=C3)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C21H28N4OS2/c1-3-4-5-6-10-13-25-20-15(16(22)18(28-20)19(23)26)17(24-21(25)27-2)14-11-8-7-9-12-14/h7-9,11-12,20H,3-6,10,13,22H2,1-2H3,(H2,23,26)