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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-(2-thienylmethyl)pyrimidin-4-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Traditional Name: [5-(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=CN=CN=C3NCC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN=CN=C3NCC4=CC=CS4

InChI

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