2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C18H21N7O2S/c1-27-13-4-2-12(3-5-13)24-6-8-25(9-7-24)14(26)10-28-18-22-15-16(19)20-11-21-17(15)23-18/h2-5,11H,6-10H2,1H3,(H3,19,20,21,22,23)