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

Systemtic Name: 4-azanyl-6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-phenyl-pyrimidine-5-carbonitrile Formula: C18H12N4O2 MolecularWeight: 316.31348

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=N3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C18H12N4O2/c19-9-13-16(12-6-7-14-15(8-12)24-10-23-14)21-18(22-17(13)20)11-4-2-1-3-5-11/h1-8H,10H2,(H2,20,21,22)