N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine Openeye Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]thiazol-2-amine CAS Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-2-thiazolamine IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]-1,3-thiazol-2-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C16H14N6O2S MolecularWeight: 354.38636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O2S/c23-22(24)13-14(20-16-17-6-8-25-16)18-10-19-15(13)21-7-5-11-3-1-2-4-12(11)9-21/h1-4,6,8,10H,5,7,9H2,(H,17,18,19,20)