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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-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=NC(=NC(=C3C#N)C4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC(=C3C#N)C4=CC=CC=C4)N

InChI

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