2-[6-[[3-(ethylamino)-3-sulfanylidene-propanoyl]amino]purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-[[3-(ethylamino)-3-sulfanylidene-propanoyl]amino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-[[3-(ethylamino)-3-thioxo-propanoyl]amino]purin-9-yl]acetic acid CAS Name: 2-[6-[[3-(ethylamino)-1-oxo-3-sulfanylidenepropyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[[3-(ethylamino)-3-sulfanylidenepropanoyl]amino]purin-9-yl]acetic acid Traditional Name: 2-[6-[[3-(ethylamino)-3-thioxo-propanoyl]amino]purin-9-yl]acetic acid Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)CC(=O)NC1=NC=NC2=C1N=CN2CC(=O)O

Isomeric SMILES

CCNC(=S)CC(=O)NC1=NC=NC2=C1N=CN2CC(=O)O

InChI

InChI=1S/C12H14N6O3S/c1-2-13-8(22)3-7(19)17-11-10-12(15-5-14-11)18(6-16-10)4-9(20)21/h5-6H,2-4H2,1H3,(H,13,22)(H,20,21)(H,14,15,17,19)