N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=C4C=CSC4=NC=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=C4C=CSC4=NC=N3)Cl)OC1

InChI

InChI=1S/C16H14ClN3O2S/c17-12-6-10(7-13-14(12)22-4-1-3-21-13)8-18-15-11-2-5-23-16(11)20-9-19-15/h2,5-7,9H,1,3-4,8H2,(H,18,19,20)