4-(butylamino)-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(butylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(butylamino)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(butylamino)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(butylamino)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(butylamino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C15H16N4 MolecularWeight: 252.31434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=NC=NC(=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H16N4/c1-2-3-9-17-15-13(10-16)14(18-11-19-15)12-7-5-4-6-8-12/h4-8,11H,2-3,9H2,1H3,(H,17,18,19)