2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CSC4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CSC4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C19H18N6OS/c20-17-16-18(22-10-21-17)24-19(23-16)27-9-15(26)25-13-7-3-1-5-11(13)12-6-2-4-8-14(12)25/h1,3,5,7,10H,2,4,6,8-9H2,(H3,20,21,22,23,24)