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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(2-thienylmethyl)pyrimidin-4-amine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Traditional Name: [2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-(2-thenyl)amine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC=CC(=N3)NCC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC=CC(=N3)NCC4=CC=CS4

InChI

InChI=1S/C16H13N3O2S/c1-2-12(22-7-1)9-18-15-5-6-17-16(19-15)11-3-4-13-14(8-11)21-10-20-13/h1-8H,9-10H2,(H,17,18,19)