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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(2-phenylethynyl)-N-propyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(2-phenylethynyl)-N-propyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(2-phenylethynyl)-N-propylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(2-phenylethynyl)-N-propylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-(2-phenylethynyl)-N-propyl-benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)N

InChI

InChI=1S/C26H28N4O3/c1-3-5-18-30-23(27)22(24(31)28-26(30)33)29(17-4-2)25(32)21-15-13-20(14-16-21)12-11-19-9-7-6-8-10-19/h6-10,13-16H,3-5,17-18,27H2,1-2H3,(H,28,31,33)