N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-yl-pyrimidin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-yl-pyrimidin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethylthiazol-2-yl)-5-(3-thienyl)pyrimidin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethyl-2-thiazolyl)-5-(3-thiophenyl)-2-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine Traditional Name: [4-(4,5-dimethylthiazol-2-yl)-5-(3-thienyl)pyrimidin-2-yl]-piperonyl-amine Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=NC(=NC=C2C3=CSC=C3)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(SC(=N1)C2=NC(=NC=C2C3=CSC=C3)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H18N4O2S2/c1-12-13(2)29-20(24-12)19-16(15-5-6-28-10-15)9-23-21(25-19)22-8-14-3-4-17-18(7-14)27-11-26-17/h3-7,9-10H,8,11H2,1-2H3,(H,22,23,25)