ethyl 2-[5-[5,6-bis(azanyl)pyrimidin-4-yl]sulfanylpentanoylamino]ethanoate

Systemtic Name: ethyl 2-[5-[5,6-bis(azanyl)pyrimidin-4-yl]sulfanylpentanoylamino]ethanoate Openeye Name: ethyl 2-[5-(5,6-diaminopyrimidin-4-yl)sulfanylpentanoylamino]acetate CAS Name: 2-[[5-[(5,6-diamino-4-pyrimidinyl)thio]-1-oxopentyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(5,6-diaminopyrimidin-4-yl)sulfanylpentanoylamino]acetate Traditional Name: 2-[5-[(5,6-diaminopyrimidin-4-yl)thio]pentanoylamino]acetic acid ethyl ester Formula: C13H21N5O3S MolecularWeight: 327.40254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCCCSC1=NC=NC(=C1N)N

Isomeric SMILES

CCOC(=O)CNC(=O)CCCCSC1=NC=NC(=C1N)N

InChI

InChI=1S/C13H21N5O3S/c1-2-21-10(20)7-16-9(19)5-3-4-6-22-13-11(14)12(15)17-8-18-13/h8H,2-7,14H2,1H3,(H,16,19)(H2,15,17,18)