4-(2-azanyl-6-fluoranyl-thieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-6-fluoranyl-thieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-6-fluoro-thieno[2,3-d]pyrimidin-4-yl)-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-(2-amino-6-fluoro-4-thieno[2,3-d]pyrimidinyl)-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-6-fluoro-thieno[2,3-d]pyrimidin-4-yl)-N-(m-tolyl)piperazine-1-carboxamide Formula: C18H19FN6OS MolecularWeight: 386.446463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C4C=C(SC4=NC(=N3)N)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C4C=C(SC4=NC(=N3)N)F

InChI

InChI=1S/C18H19FN6OS/c1-11-3-2-4-12(9-11)21-18(26)25-7-5-24(6-8-25)15-13-10-14(19)27-16(13)23-17(20)22-15/h2-4,9-10H,5-8H2,1H3,(H,21,26)(H2,20,22,23)