2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)N

InChI

InChI=1S/C18H22N4O3S/c1-11-6-16(19)21-18(20-11)26-10-17(23)22-5-4-12-7-14(24-2)15(25-3)8-13(12)9-22/h6-8H,4-5,9-10H2,1-3H3,(H2,19,20,21)