2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)pyrimidine-5-carbonitrile Formula: C15H14N4O4 MolecularWeight: 314.29606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

COCCOC1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C15H14N4O4/c1-20-4-5-21-14-10(7-16)13(18-15(17)19-14)9-2-3-11-12(6-9)23-8-22-11/h2-3,6H,4-5,8H2,1H3,(H2,17,18,19)