3-azanyl-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(3-ketobenzo[f]chromen-1-yl)methylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H17N3O3S2 MolecularWeight: 483.56148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5)N

InChI

InChI=1S/C26H17N3O3S2/c27-29-25(31)23-19(15-6-2-1-3-7-15)14-33-24(23)28-26(29)34-13-17-12-21(30)32-20-11-10-16-8-4-5-9-18(16)22(17)20/h1-12,14H,13,27H2