6-chloranyl-7-methoxy-4-methyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methoxy-4-methyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6-chloro-7-methoxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6-chloro-7-methoxy-4-methyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methoxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-7-methoxy-4-methyl-coumarin Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H21ClN4O4/c1-13-14-10-16(22)18(29-2)12-17(14)30-20(28)15(13)11-19(27)25-6-8-26(9-7-25)21-23-4-3-5-24-21/h3-5,10,12H,6-9,11H2,1-2H3