N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine; ethanedioic acid

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine; ethanedioic acid Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine; oxalic acid CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine; oxalic acid IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine; oxalic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine; oxalic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)NCCC4=CC5=C(C=C4)OCCO5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)NCCC4=CC5=C(C=C4)OCCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21N3O2S.C2H2O4/c1-2-4-17-14(3-1)18-19(22-12-23-20(18)26-17)21-8-7-13-5-6-15-16(11-13)25-10-9-24-15;3-1(4)2(5)6/h5-6,11-12H,1-4,7-10H2,(H,21,22,23);(H,3,4)(H,5,6)