2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3)OC1

InChI

InChI=1S/C22H19N3O3S/c26-21-16-12-19(14-5-2-1-3-6-14)29-22(16)25-20(24-21)13-23-15-7-8-17-18(11-15)28-10-4-9-27-17/h1-3,5-8,11-12,23H,4,9-10,13H2,(H,24,25,26)