methyl (3S)-2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)OC)N

InChI

InChI=1S/C18H20N4O3S/c1-11-7-15(19)21-18(20-11)26-10-16(23)22-9-13-6-4-3-5-12(13)8-14(22)17(24)25-2/h3-7,14H,8-10H2,1-2H3,(H2,19,20,21)/t14-/m0/s1