2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-thiophen-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-thiophen-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(2-thienyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-thiophen-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-thiophen-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-(2-thienyl)-1H-pyrimidin-4-one Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NC(=O)C=C(N3)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NC(=O)C=C(N3)C4=CC=CS4

InChI

InChI=1S/C19H21N5OS/c20-15-5-3-14(4-6-15)13-23-7-9-24(10-8-23)19-21-16(12-18(25)22-19)17-2-1-11-26-17/h1-6,11-12H,7-10,13,20H2,(H,21,22,25)/p+1