3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=N/N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H15N3O3S/c25-21-19-16(15-4-2-1-3-5-15)12-28-20(19)22-13-24(21)23-11-14-6-7-17-18(10-14)27-9-8-26-17/h1-7,10-13H,8-9H2/b23-11+