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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)CSC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)CSC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C18H19N3O2S2/c1-10-11(2)25-18-16(10)17(19)20-15(21-18)9-24-12-4-5-13-14(8-12)23-7-3-6-22-13/h4-5,8H,3,6-7,9H2,1-2H3,(H2,19,20,21)