ethyl 2-[6-azanyl-1-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-1-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxo-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-keto-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CNC3=C2C=C(C=C3)Cl)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C=C(N1CCC2=CNC3=C2C=C(C=C3)Cl)N

InChI

InChI=1S/C18H19ClN4O3S/c1-2-26-17(25)10-27-18-22-16(24)8-15(20)23(18)6-5-11-9-21-14-4-3-12(19)7-13(11)14/h3-4,7-9,21H,2,5-6,10,20H2,1H3