(2-carbamimidoyl-2-pyrimidin-5-yl-piperazin-1-yl) 2-(1-oxidanylcyclohexyl)ethanoate

Systemtic Name: (2-carbamimidoyl-2-pyrimidin-5-yl-piperazin-1-yl) 2-(1-oxidanylcyclohexyl)ethanoate Openeye Name: (2-carbamimidoyl-2-pyrimidin-5-yl-piperazin-1-yl) 2-(1-hydroxycyclohexyl)acetate CAS Name: 2-(1-hydroxycyclohexyl)acetic acid [2-carbamimidoyl-2-(5-pyrimidinyl)-1-piperazinyl] ester IUPAC Name: (2-carbamimidoyl-2-pyrimidin-5-ylpiperazin-1-yl) 2-(1-hydroxycyclohexyl)acetate Traditional Name: 2-(1-hydroxycyclohexyl)acetic acid [2-amidino-2-(5-pyrimidyl)piperazino] ester Formula: C17H26N6O3 MolecularWeight: 362.42674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)ON2CCNCC2(C3=CN=CN=C3)C(=N)N)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)ON2CCNCC2(C3=CN=CN=C3)C(=N)N)O

InChI

InChI=1S/C17H26N6O3/c18-15(19)17(13-9-21-12-22-10-13)11-20-6-7-23(17)26-14(24)8-16(25)4-2-1-3-5-16/h9-10,12,20,25H,1-8,11H2,(H3,18,19)