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

Systemtic Name: ethyl 2-[6-azanyl-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-4-keto-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-3-27-18(25)11-28-19-22-17(24)9-16(20)23(19)7-6-12-10-21-15-5-4-13(26-2)8-14(12)15/h4-5,8-10,21H,3,6-7,11,20H2,1-2H3