2-(2-chloranyl-7H-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2-chloranyl-7H-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2-chloro-7H-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2-chloro-7H-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-chloro-7H-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-chloro-7H-purin-6-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC4=C3NC=N4)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC4=C3NC=N4)Cl)OC

InChI

InChI=1S/C16H16ClN5O2/c1-23-11-5-9-3-4-22(7-10(9)6-12(11)24-2)15-13-14(19-8-18-13)20-16(17)21-15/h5-6,8H,3-4,7H2,1-2H3,(H,18,19,20,21)