N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-7H-purin-6-amine

Systemtic Name: N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-7H-purin-6-amine Openeye Name: N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-7H-purin-6-amine CAS Name: N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-7H-purin-6-amine IUPAC Name: N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-7H-purin-6-amine Traditional Name: [(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl-(7H-purin-6-yl)amine Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2CC1CNC3=NC=NC4=C3NC=N4

Isomeric SMILES

CN1CC2=CC=CC=C2C[C@H]1CNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H18N6/c1-22-8-12-5-3-2-4-11(12)6-13(22)7-17-15-14-16(19-9-18-14)21-10-20-15/h2-5,9-10,13H,6-8H2,1H3,(H2,17,18,19,20,21)/t13-/m0/s1