2-azanyl-9-butyl-8-sulfanylidene-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-9-butyl-8-sulfanylidene-3,7-dihydropurin-6-one Openeye Name: 2-amino-9-butyl-8-thioxo-3,7-dihydropurin-6-one CAS Name: 2-amino-9-butyl-8-sulfanylidene-3,7-dihydropurin-6-one IUPAC Name: 2-amino-9-butyl-8-sulfanylidene-3,7-dihydropurin-6-one Traditional Name: 2-amino-9-butyl-8-thioxo-3,7-dihydropurin-6-one Formula: C9H13N5OS MolecularWeight: 239.29742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N=C(N2)N)NC1=S

Isomeric SMILES

CCCCN1C2=C(C(=O)N=C(N2)N)NC1=S

InChI

InChI=1S/C9H13N5OS/c1-2-3-4-14-6-5(11-9(14)16)7(15)13-8(10)12-6/h2-4H2,1H3,(H,11,16)(H3,10,12,13,15)