1-[4-(6-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethyl ethanoate

Systemtic Name: 1-[4-(6-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethyl ethanoate Openeye Name: 1-[4-[6-(3-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-yl]ethyl acetate CAS Name: acetic acid 1-[4-[6-(3-thiophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-(6-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethyl acetate Traditional Name: acetic acid 1-[4-[6-(3-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-yl]ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CCC3=C(C2)C=CC(=C3)C4=CSC=C4)OC(=O)C

Isomeric SMILES

CC(C1=NC=CC(=N1)N2CCC3=C(C2)C=CC(=C3)C4=CSC=C4)OC(=O)C

InChI

InChI=1S/C21H21N3O2S/c1-14(26-15(2)25)21-22-8-5-20(23-21)24-9-6-17-11-16(3-4-18(17)12-24)19-7-10-27-13-19/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3