2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(2-chloranylphenothiazin-10-yl)ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(2-chloranylphenothiazin-10-yl)ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(2-chlorophenothiazin-10-yl)ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(2-chloro-10-phenothiazinyl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(2-chlorophenothiazin-10-yl)ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(2-chlorophenothiazin-10-yl)ethanone Formula: C19H13ClN6OS2 MolecularWeight: 440.92912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C19H13ClN6OS2/c20-10-5-6-14-12(7-10)26(11-3-1-2-4-13(11)29-14)15(27)8-28-19-24-16-17(21)22-9-23-18(16)25-19/h1-7,9H,8H2,(H3,21,22,23,24,25)