N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide Traditional Name: N-[2-(3-amidinophenoxy)ethyl]-4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CNC(=NC1)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C20H23N5O2/c21-18(22)16-3-1-4-17(13-16)27-12-11-25-20(26)15-7-5-14(6-8-15)19-23-9-2-10-24-19/h1,3-8,13H,2,9-12H2,(H3,21,22)(H,23,24)(H,25,26)