[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=C(S3)CCCCCC4

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=C(S3)CCCCCC4

InChI

InChI=1S/C19H21N5O3S/c1-11(18(25)24-17-15-16(21-9-20-15)22-10-23-17)27-19(26)14-8-12-6-4-2-3-5-7-13(12)28-14/h8-11H,2-7H2,1H3,(H2,20,21,22,23,24,25)