2-[8-chloranyl-3-[(7H-purin-6-ylamino)methyl]quinolin-2-yl]cyclohexa-2,4-diene-1-thione

Systemtic Name: 2-[8-chloranyl-3-[(7H-purin-6-ylamino)methyl]quinolin-2-yl]cyclohexa-2,4-diene-1-thione Openeye Name: 2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]-2-quinolyl]cyclohexa-2,4-diene-1-thione CAS Name: 2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]-2-quinolinyl]-1-cyclohexa-2,4-dienethione IUPAC Name: 2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]quinolin-2-yl]cyclohexa-2,4-diene-1-thione Traditional Name: 2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]-2-quinolyl]cyclohexa-2,4-diene-1-thione Formula: C21H15ClN6S MolecularWeight: 418.902

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=S)C2=C(C=C3C=CC=C(C3=N2)Cl)CNC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1C=CC=C(C1=S)C2=C(C=C3C=CC=C(C3=N2)Cl)CNC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H15ClN6S/c22-15-6-3-4-12-8-13(9-23-20-19-21(25-10-24-19)27-11-26-20)17(28-18(12)15)14-5-1-2-7-16(14)29/h1-6,8,10-11H,7,9H2,(H2,23,24,25,26,27)