[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4OS2/c27-22(18-8-4-13-28-18)26-10-5-9-25(11-12-26)20-19-17(16-6-2-1-3-7-16)14-29-21(19)24-15-23-20/h1-4,6-8,13-15H,5,9-12H2