[3,7-bis(chloranyl)-6-methoxy-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3,7-bis(chloranyl)-6-methoxy-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3,7-dichloro-6-methoxy-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3,7-dichloro-6-methoxy-1-benzothiophen-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3,7-dichloro-6-methoxy-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3,7-dichloro-6-methoxy-benzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C18H16Cl2N4O2S MolecularWeight: 423.31624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl)Cl

InChI

InChI=1S/C18H16Cl2N4O2S/c1-26-12-4-3-11-13(19)16(27-15(11)14(12)20)17(25)23-7-9-24(10-8-23)18-21-5-2-6-22-18/h2-6H,7-10H2,1H3