2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; butanoic acid; 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-sulfanylidene-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; butanoic acid; 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-sulfanylidene-3,7-dihydropurin-6-one Openeye Name: 2-amino-5-guanidino-pentanoic acid; butyric acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-thioxo-3,7-dihydropurin-6-one CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; butanoic acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-sulfanylidene-3,7-dihydropurin-6-one IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; butanoic acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-3,7-dihydropurin-6-one Traditional Name: 2-amino-5-guanidino-valeric acid; butyric acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-8-thioxo-3,7-dihydropurin-6-one Formula: C20H34N8O9S MolecularWeight: 562.59716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.C1=NC(=O)C2=C(N1)N(C(=S)N2)C3C(C(C(O3)CO)O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCCC(=O)O.C1=NC(=O)C2=C(N1)N(C(=S)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C10H12N4O5S.C6H14N4O2.C4H8O2/c15-1-3-5(16)6(17)9(19-3)14-7-4(13-10(14)20)8(18)12-2-11-7;7-4(5(11)12)2-1-3-10-6(8)9;1-2-3-4(5)6/h2-3,5-6,9,15-17H,1H2,(H,13,20)(H,11,12,18);4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3H2,1H3,(H,5,6)/t3-,5-,6-,9-;;/m1../s1