4-[(aminocarbonylamino)methyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-[(aminocarbonylamino)methyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4-(ureidomethyl)benzamide CAS Name: 4-[(carbamoylamino)methyl]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-[(carbamoylamino)methyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]propyl]-4-(ureidomethyl)benzamide Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC=C(C=C2)CNC(=O)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC=C(C=C2)CNC(=O)N)C3=NC=CC=N3

InChI

InChI=1S/C20H27N7O2/c21-19(29)25-15-16-3-5-17(6-4-16)18(28)22-9-2-10-26-11-13-27(14-12-26)20-23-7-1-8-24-20/h1,3-8H,2,9-15H2,(H,22,28)(H3,21,25,29)