N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-cyano-N-(phenylmethyl)benzamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-cyano-N-(phenylmethyl)benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-4-cyano-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-4-cyano-N-(phenylmethyl)benzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-4-cyanobenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-4-cyano-benzamide Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C26H21N5O3/c27-15-18-11-13-21(14-12-18)25(33)30(16-19-7-3-1-4-8-19)22-23(28)31(26(34)29-24(22)32)17-20-9-5-2-6-10-20/h1-14H,16-17,28H2,(H,29,32,34)