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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-4-(2-phenylethynyl)benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-4-(2-phenylethynyl)benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-4-(2-phenylethynyl)benzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(2-phenylethynyl)benzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-4-(2-phenylethynyl)benzamide Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(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

CCCCN(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/C30H28N4O3/c1-2-3-20-33(26-27(31)34(30(37)32-28(26)35)21-24-12-8-5-9-13-24)29(36)25-18-16-23(17-19-25)15-14-22-10-6-4-7-11-22/h4-13,16-19H,2-3,20-21,31H2,1H3,(H,32,35,37)