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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-(2-phenylethynyl)-N-propyl-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-(2-phenylethynyl)-N-propyl-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-4-(2-phenylethynyl)-N-propylbenzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2-phenylethynyl)-N-propylbenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-4-(2-phenylethynyl)-N-propyl-benzamide Formula: C29H26N4O3 MolecularWeight: 478.54174

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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#CC4=CC=CC=C4

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H26N4O3/c1-2-19-32(25-26(30)33(29(36)31-27(25)34)20-23-11-7-4-8-12-23)28(35)24-17-15-22(16-18-24)14-13-21-9-5-3-6-10-21/h3-12,15-18H,2,19-20,30H2,1H3,(H,31,34,36)