N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-phenyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amine Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5)OC1

InChI

InChI=1S/C21H17N3O2S/c1-2-5-14(6-3-1)19-12-16-20(22-13-23-21(16)27-19)24-15-7-8-17-18(11-15)26-10-4-9-25-17/h1-3,5-8,11-13H,4,9-10H2,(H,22,23,24)