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

Systemtic Name: N-[6-azanyl-1-(2-methoxyethyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-cyano-N-(phenylmethyl)benzamide Openeye Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxo-pyrimidin-5-yl]-N-benzyl-4-cyano-benzamide CAS Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxo-5-pyrimidinyl]-4-cyano-N-(phenylmethyl)benzamide IUPAC Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-cyanobenzamide Traditional Name: N-[6-amino-2,4-diketo-1-(2-methoxyethyl)pyrimidin-5-yl]-N-benzyl-4-cyano-benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N)N

Isomeric SMILES

COCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C22H21N5O4/c1-31-12-11-26-19(24)18(20(28)25-22(26)30)27(14-16-5-3-2-4-6-16)21(29)17-9-7-15(13-23)8-10-17/h2-10H,11-12,14,24H2,1H3,(H,25,28,30)