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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)pyrimidine-5-carbonitrile Formula: C12H8N4O2 MolecularWeight: 240.21752

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3C#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3C#N)N

InChI

InChI=1S/C12H8N4O2/c13-4-8-5-15-12(14)16-11(8)7-1-2-9-10(3-7)18-6-17-9/h1-3,5H,6H2,(H2,14,15,16)