2-[4-(4-carbamimidoyl-3,5-dimethyl-piperazin-1-yl)pyrimidin-2-yl]ethyl butanoate

Systemtic Name: 2-[4-(4-carbamimidoyl-3,5-dimethyl-piperazin-1-yl)pyrimidin-2-yl]ethyl butanoate Openeye Name: 2-[4-(4-carbamimidoyl-3,5-dimethyl-piperazin-1-yl)pyrimidin-2-yl]ethyl butanoate CAS Name: butanoic acid 2-[4-(4-carbamimidoyl-3,5-dimethyl-1-piperazinyl)-2-pyrimidinyl]ethyl ester IUPAC Name: 2-[4-(4-carbamimidoyl-3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]ethyl butanoate Traditional Name: butyric acid 2-[4-(4-amidino-3,5-dimethyl-piperazino)pyrimidin-2-yl]ethyl ester Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC1=NC=CC(=N1)N2CC(N(C(C2)C)C(=N)N)C

Isomeric SMILES

CCCC(=O)OCCC1=NC=CC(=N1)N2CC(N(C(C2)C)C(=N)N)C

InChI

InChI=1S/C17H28N6O2/c1-4-5-16(24)25-9-7-14-20-8-6-15(21-14)22-10-12(2)23(17(18)19)13(3)11-22/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H3,18,19)