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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (2-benzyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CC4=CC=CC=C4)NC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CC4=CC=CC=C4)NC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C25H23N3O2S/c1-2-6-16(7-3-1)14-22-27-24(23-18-8-4-5-9-21(18)31-25(23)28-22)26-17-10-11-19-20(15-17)30-13-12-29-19/h1-3,6-7,10-11,15H,4-5,8-9,12-14H2,(H,26,27,28)