ethyl 2-[2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-1,3-thiazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-1,3-thiazol-5-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]thiazol-5-yl]acetate CAS Name: 2-[2-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-5-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]thiazol-5-yl]acetic acid ethyl ester Formula: C14H15N7O3S2 MolecularWeight: 393.444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN=C(S1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CCOC(=O)CC1=CN=C(S1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C14H15N7O3S2/c1-2-24-9(23)3-7-4-16-13(26-7)19-8(22)5-25-14-20-10-11(15)17-6-18-12(10)21-14/h4,6H,2-3,5H2,1H3,(H,16,19,22)(H3,15,17,18,20,21)