5-azanyl-2-methylsulfanyl-4-phenyl-1-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-2-methylsulfanyl-4-phenyl-1-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-2-(methylthio)-4-phenyl-1-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-1-[(1-benzylpyrrolidin-3-yl)amino]-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H28N6OS2 MolecularWeight: 492.65942

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(N1NC3CCN(C3)CC4=CC=CC=C4)SC(=C2N)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=C2C(N1NC3CCN(C3)CC4=CC=CC=C4)SC(=C2N)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6OS2/c1-33-25-28-21(17-10-6-3-7-11-17)19-20(26)22(23(27)32)34-24(19)31(25)29-18-12-13-30(15-18)14-16-8-4-2-5-9-16/h2-11,18,24,29H,12-15,26H2,1H3,(H2,27,32)