ethyl 2-[4-azanyl-5-[(1-methylpyrrol-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-azanyl-5-[(1-methylpyrrol-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-amino-5-[(1-methylpyrrol-2-yl)methyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-[(1-methyl-2-pyrrolyl)methyl]-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-[(1-methylpyrrol-2-yl)methyl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-[(1-methylpyrrol-2-yl)methyl]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=CN2C

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=CN2C

InChI

InChI=1S/C14H18N4O2S/c1-3-20-12(19)9-21-14-16-8-10(13(15)17-14)7-11-5-4-6-18(11)2/h4-6,8H,3,7,9H2,1-2H3,(H2,15,16,17)