ethyl 2-[6-azanyl-1-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-1-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-1-[2-(1H-indol-3-yl)ethyl]-4-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-1-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-1-[2-(1H-indol-3-yl)ethyl]-4-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-1-[2-(1H-indol-3-yl)ethyl]-4-keto-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CNC3=CC=CC=C32)N

InChI

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