5-[[3-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)cyclopenten-1-yl]methylsulfonio]-2-azanyl-pentanoate

Systemtic Name: 5-[[3-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)cyclopenten-1-yl]methylsulfonio]-2-azanyl-pentanoate Openeye Name: 2-amino-5-[[3-(6-aminopurin-9-yl)-4,5-dihydroxy-cyclopenten-1-yl]methylsulfonio]pentanoate CAS Name: 2-amino-5-[[3-(6-aminopurin-9-yl)-4,5-dihydroxy-1-cyclopentenyl]methylsulfonio]pentanoate IUPAC Name: 2-amino-5-[[3-(6-aminopurin-9-yl)-4,5-dihydroxycyclopenten-1-yl]methylsulfonio]pentanoate Traditional Name: 5-[(3-adenin-9-yl-4,5-dihydroxy-cyclopenten-1-yl)methylsulfonio]-2-amino-valerate Formula: C16H22N6O4S MolecularWeight: 394.44868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(C(C1N2C=NC3=C2N=CN=C3N)O)O)C[SH+]CCCC(C(=O)[O-])N

Isomeric SMILES

C1=C(C(C(C1N2C=NC3=C2N=CN=C3N)O)O)C[SH+]CCCC(C(=O)[O-])N

InChI

InChI=1S/C16H22N6O4S/c17-9(16(25)26)2-1-3-27-5-8-4-10(13(24)12(8)23)22-7-21-11-14(18)19-6-20-15(11)22/h4,6-7,9-10,12-13,23-24H,1-3,5,17H2,(H,25,26)(H2,18,19,20)