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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-cyano-N-propyl-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-cyano-N-propyl-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-4-cyano-N-propylbenzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-cyano-N-propylbenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-4-cyano-N-propyl-benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N5O3/c1-2-12-26(21(29)17-10-8-15(13-23)9-11-17)18-19(24)27(22(30)25-20(18)28)14-16-6-4-3-5-7-16/h3-11H,2,12,14,24H2,1H3,(H,25,28,30)