2-azanyl-8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

InChI

InChI=1S/C16H16N6O2S/c17-15-19-13-12(14(24)21-15)18-16(20-13)25-8-11(23)22-7-3-5-9-4-1-2-6-10(9)22/h1-2,4,6H,3,5,7-8H2,(H4,17,18,19,20,21,24)