2-azanyl-9-hexyl-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one

Systemtic Name: 2-azanyl-9-hexyl-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one Openeye Name: 7-allyl-2-amino-9-hexyl-8-thioxo-3H-purin-6-one CAS Name: 2-amino-9-hexyl-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one IUPAC Name: 2-amino-9-hexyl-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one Traditional Name: 7-allyl-2-amino-9-hexyl-8-thioxo-3H-purin-6-one Formula: C14H21N5OS MolecularWeight: 307.41444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N=C(N2)N)N(C1=S)CC=C

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N=C(N2)N)N(C1=S)CC=C

InChI

InChI=1S/C14H21N5OS/c1-3-5-6-7-9-19-11-10(12(20)17-13(15)16-11)18(8-4-2)14(19)21/h4H,2-3,5-9H2,1H3,(H3,15,16,17,20)