4-[5-(1,3-benzodioxol-5-ylamino)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine

Systemtic Name: 4-[5-(1,3-benzodioxol-5-ylamino)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-(1,3-benzodioxol-5-ylamino)-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[5-(1,3-benzodioxol-5-ylamino)-3-methyl-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[5-(1,3-benzodioxol-5-ylamino)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-(1,3-benzodioxol-5-yl)amine Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N

InChI

InChI=1S/C20H16N4O2S/c1-11-14-8-12(23-13-2-4-16-17(9-13)26-10-25-16)3-5-18(14)27-19(11)15-6-7-22-20(21)24-15/h2-9,23H,10H2,1H3,(H2,21,22,24)