1,5-dithiocan-3-yl 4-(7H-purin-6-ylamino)butanoate

Systemtic Name: 1,5-dithiocan-3-yl 4-(7H-purin-6-ylamino)butanoate Openeye Name: 1,5-dithiocan-3-yl 4-(7H-purin-6-ylamino)butanoate CAS Name: 4-(7H-purin-6-ylamino)butanoic acid 1,5-dithiocan-3-yl ester IUPAC Name: 1,5-dithiocan-3-yl 4-(7H-purin-6-ylamino)butanoate Traditional Name: 4-(7H-purin-6-ylamino)butyric acid 1,5-dithiocan-3-yl ester Formula: C15H21N5O2S2 MolecularWeight: 367.48954

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CSC1)OC(=O)CCCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1CSCC(CSC1)OC(=O)CCCNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H21N5O2S2/c21-12(22-11-7-23-5-2-6-24-8-11)3-1-4-16-14-13-15(18-9-17-13)20-10-19-14/h9-11H,1-8H2,(H2,16,17,18,19,20)