3,3-bis(phenylmethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)oxirane-2-carbonitrile

Systemtic Name: 3,3-bis(phenylmethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)oxirane-2-carbonitrile Openeye Name: 3,3-dibenzyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)oxirane-2-carbonitrile CAS Name: 3,3-bis(phenylmethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-oxiranecarbonitrile IUPAC Name: 3,3-dibenzyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)oxirane-2-carbonitrile Traditional Name: 3,3-dibenzyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)oxirane-2-carbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2(C(O2)(CC3=CC=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CNC(=NC1)C2(C(O2)(CC3=CC=CC=C3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H21N3O/c22-16-21(19-23-12-7-13-24-19)20(25-21,14-17-8-3-1-4-9-17)15-18-10-5-2-6-11-18/h1-6,8-11H,7,12-15H2,(H,23,24)