tert-butyl N-[(2S)-1-[[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(1S,4R)-4-(6-aminopurin-9-yl)-1-cyclopent-2-enyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S,4R)-4-adenin-9-ylcyclopent-2-en-1-yl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC(C=C1)N2C=NC3=C2N=CN=C3N)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1C[C@H](C=C1)N2C=NC3=C2N=CN=C3N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N7O3/c1-10(23-17(27)28-18(2,3)4)16(26)24-11-5-6-12(7-11)25-9-22-13-14(19)20-8-21-15(13)25/h5-6,8-12H,7H2,1-4H3,(H,23,27)(H,24,26)(H2,19,20,21)/t10-,11+,12-/m0/s1